Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CCOCC1 |
MW: | 550.14 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 103.6 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.338333523118342 |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | 2021-12-13 |
Hetero_hetero
ALP-POS-ecbed2ba-4
0.880
EDJ-MED-8bb691af-6
0.880
MIK-ENA-5d9157e9-1
0.880
MIK-ENA-5d9157e9-2
0.880
ALP-POS-ecbed2ba-8
0.863
ALP-POS-ecbed2ba-15
0.846
EDJ-MED-4138fde9-7
0.821
ALP-POS-ecbed2ba-2
0.807
PET-UNK-94036022-2
0.781
PET-UNK-94036022-9
0.781
EDJ-MED-accc2c4d-3
0.762
ALP-POS-133e7cd9-2
0.752
ALP-POS-ecbed2ba-22
0.745
PET-UNK-94036022-10
0.745
ALP-POS-ecbed2ba-3
0.745
PET-UNK-94036022-3
0.745
EDJ-MED-5cd3920d-6
0.734
VLA-UNK-61877630-10
0.734
EDJ-MED-accc2c4d-1
0.731
ALP-POS-ecbed2ba-1
0.727
ALP-POS-ecbed2ba-6
0.718
EDJ-MED-5cd3920d-5
0.718
EDJ-MED-b6c6ee2b-4
0.716
EDJ-MED-4138fde9-8
0.716
ALP-POS-ecbed2ba-13
0.712
VLA-UNK-61877630-8
0.699
VLA-UNK-e334495f-2
0.699
MAT-POS-853c0ffa-13
0.699
EDJ-MED-3707c4bc-2
0.697
EDJ-MED-3707c4bc-1
0.697
ALP-POS-ecbed2ba-5
0.688
EDJ-MED-accc2c4d-4
0.682
EDJ-MED-5cd3920d-2
0.675
ALP-POS-ecbed2ba-20
0.673
EDJ-MED-7587a9ee-3
0.670
LUO-POS-ed2cfb03-2
0.667
MAT-POS-853c0ffa-15
0.667
EDJ-MED-4138fde9-9
0.667
ALP-POS-c3a90b22-7
0.664
EDJ-MED-accc2c4d-2
0.664
MIK-ENA-60569a44-1
0.661
MIK-ENA-bb7b6957-1
0.661
EDJ-MED-b6c6ee2b-3
0.661
ALP-POS-ecbed2ba-17
0.658
MAT-POS-853c0ffa-11
0.655
MAT-POS-853c0ffa-9
0.653
MAT-POS-38eb6498-1
0.653
MIK-ENA-8063e9dc-1
0.653
LUO-POS-8484f2d3-1
0.653
LUO-POS-8484f2d3-2
0.653
MIK-ENA-7066949b-1
0.653
MAT-POS-38eb6498-2
0.653
PET-UNK-143b31ee-1
0.650
PET-UNK-143b31ee-4
0.650
ALP-POS-ecbed2ba-9
0.649
MAT-POS-40ad851a-4
0.648
EDJ-MED-ee81482e-1
0.648
VLA-UNK-61877630-7
0.647
VLA-UNK-e334495f-1
0.647
EDJ-MED-5cd3920d-1
0.645
MAT-POS-853c0ffa-6
0.643
LUO-POS-ed2cfb03-1
0.643
ALP-POS-ecbed2ba-16
0.641
MAT-POS-1d5ab790-1
0.638
MAT-POS-853c0ffa-5
0.638
ALP-POS-ecbed2ba-18
0.637
EDJ-MED-ee81482e-2
0.637
EDJ-MED-468565e0-2
0.636
EDJ-MED-ee81482e-5
0.635
MAT-POS-1a788f51-1
0.634
PET-UNK-df7eb4e6-7
0.632
PET-UNK-df7eb4e6-3
0.632
EDJ-MED-ee81482e-4
0.630
MAT-POS-1bed62cf-1
0.629
LUO-POS-868e8996-10
0.629
LUO-POS-868e8996-9
0.629
LUO-POS-e1dab717-15
0.627
MAT-POS-40ad851a-2
0.625
MAT-POS-1a788f51-2
0.624
LUO-POS-d1147590-1
0.622
ALP-POS-ecbed2ba-19
0.621
EDJ-MED-4138fde9-1
0.619
ALP-POS-ecbed2ba-21
0.619
ALP-POS-01611061-2
0.617
LUO-POS-f7b1afe6-1
0.617
MAT-POS-40ad851a-3
0.617
EDJ-MED-ee81482e-3
0.615
PET-UNK-c6bcc80b-4
0.613
PET-UNK-c6bcc80b-11
0.613
ALP-POS-ecbed2ba-10
0.612
EDJ-MED-468565e0-1
0.609
EDJ-MED-468565e0-5
0.609
PET-UNK-143b31ee-2
0.608
PET-UNK-143b31ee-5
0.608
LUO-POS-e1dab717-16
0.608
ALP-POS-01611061-3
0.602
MAT-POS-40ad851a-5
0.600
MAT-POS-1a788f51-3
0.600
MAT-POS-853c0ffa-21
0.597
EDJ-MED-468565e0-4
0.595