Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 506.12 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.120638366289037 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2021-10-07 |
Hetero_hetero
VLA-UCB-50c39ae8-2
MAT-POS-1bed62cf-3
MAT-POS-1bed62cf-2
MAT-POS-1bed62cf-1
EDJ-MED-b6c6ee2b-7
EDJ-MED-b6c6ee2b-4
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EDJ-MED-b6c6ee2b-1
EDJ-MED-b6c6ee2b-6
PET-UNK-94036022-12
PET-UNK-94036022-10
PET-UNK-94036022-9
PET-UNK-94036022-8
PET-UNK-94036022-7
PET-UNK-94036022-6
PET-UNK-94036022-5
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PET-UNK-94036022-3
PET-UNK-94036022-1
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PET-UNK-94036022-2
PET-UNK-df7eb4e6-8
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PET-UNK-df7eb4e6-5
PET-UNK-df7eb4e6-4
PET-UNK-df7eb4e6-3
PET-UNK-df7eb4e6-6
PET-UNK-df7eb4e6-2
PET-UNK-df7eb4e6-1
VLA-UNK-61877630-9
VLA-UNK-61877630-6
VLA-UNK-61877630-4
VLA-UNK-61877630-3
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VLA-UNK-61877630-2
VLA-UNK-61877630-10
VLA-UNK-61877630-7
VLA-UNK-e334495f-4
VLA-UNK-e334495f-3
VLA-UNK-e334495f-2
VLA-UNK-e334495f-1
EDJ-MED-accc2c4d-4
EDJ-MED-accc2c4d-2
EDJ-MED-accc2c4d-1
EDJ-MED-accc2c4d-3
MIK-ENA-5d9157e9-2
1.000
EDJ-MED-8bb691af-6
1.000
ALP-POS-ecbed2ba-4
1.000
ALP-POS-ecbed2ba-8
0.936
ALP-POS-ecbed2ba-15
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ALP-POS-ecbed2ba-11
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ALP-POS-ecbed2ba-2
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EDJ-MED-4138fde9-7
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PET-UNK-94036022-9
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PET-UNK-94036022-2
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ALP-POS-133e7cd9-2
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EDJ-MED-b6c6ee2b-4
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ALP-POS-ecbed2ba-3
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PET-UNK-94036022-3
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PET-UNK-94036022-10
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EDJ-MED-accc2c4d-3
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ALP-POS-ecbed2ba-22
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EDJ-MED-accc2c4d-1
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VLA-UNK-61877630-8
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VLA-UNK-e334495f-2
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ALP-POS-ecbed2ba-6
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EDJ-MED-5cd3920d-6
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EDJ-MED-5cd3920d-5
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VLA-UNK-61877630-10
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MAT-POS-853c0ffa-13
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ALP-POS-ecbed2ba-1
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ALP-POS-ecbed2ba-13
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EDJ-MED-3707c4bc-2
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EDJ-MED-3707c4bc-1
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MAT-POS-853c0ffa-15
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MIK-ENA-bb7b6957-1
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EDJ-MED-5cd3920d-2
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EDJ-MED-b6c6ee2b-3
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MIK-ENA-60569a44-1
0.741
ALP-POS-ecbed2ba-5
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EDJ-MED-4138fde9-8
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EDJ-MED-accc2c4d-4
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MAT-POS-853c0ffa-11
0.734
ALP-POS-c3a90b22-7
0.731
MAT-POS-38eb6498-2
0.730
PET-UNK-143b31ee-1
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PET-UNK-143b31ee-4
0.729
VLA-UNK-e334495f-1
0.726
VLA-UNK-61877630-7
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EDJ-MED-7587a9ee-3
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MAT-POS-853c0ffa-6
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EDJ-MED-ee81482e-1
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EDJ-MED-5cd3920d-1
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LUO-POS-ed2cfb03-2
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EDJ-MED-4138fde9-9
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MAT-POS-1d5ab790-1
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MAT-POS-853c0ffa-5
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MAT-POS-38eb6498-1
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MAT-POS-853c0ffa-9
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MIK-ENA-8063e9dc-1
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LUO-POS-8484f2d3-1
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MIK-ENA-7066949b-1
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LUO-POS-8484f2d3-2
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EDJ-MED-ee81482e-2
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PET-UNK-df7eb4e6-3
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PET-UNK-df7eb4e6-7
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ALP-POS-ecbed2ba-20
0.710
MAT-POS-1a788f51-1
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LUO-POS-868e8996-9
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ALP-POS-ecbed2ba-17
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MAT-POS-1bed62cf-1
0.708
LUO-POS-868e8996-10
0.708
MAT-POS-40ad851a-4
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EDJ-MED-ee81482e-4
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ALP-POS-ecbed2ba-9
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EDJ-MED-accc2c4d-2
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MAT-POS-1a788f51-2
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ALP-POS-01611061-2
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LUO-POS-f7b1afe6-1
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MAT-POS-40ad851a-2
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LUO-POS-d1147590-1
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EDJ-MED-4138fde9-1
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LUO-POS-e1dab717-15
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ALP-POS-ecbed2ba-16
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MAT-POS-40ad851a-3
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ALP-POS-ecbed2ba-18
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PET-UNK-c6bcc80b-4
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PET-UNK-c6bcc80b-11
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PET-UNK-143b31ee-2
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PET-UNK-143b31ee-5
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EDJ-MED-468565e0-1
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EDJ-MED-ee81482e-5
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EDJ-MED-468565e0-5
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LUO-POS-ed2cfb03-1
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ALP-POS-01611061-3
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EDJ-MED-ee81482e-3
0.669
LUO-POS-e1dab717-16
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MAT-POS-1a788f51-3
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ALP-POS-ecbed2ba-19
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EDJ-MED-a12e3a20-1
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EDJ-MED-7e491f08-1
0.667
MAT-POS-40ad851a-5
0.667
ALP-POS-ecbed2ba-21
0.664
EDJ-MED-468565e0-4
0.661
MAT-POS-1a788f51-4
0.661