Molecule Details
| 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
![O=C1C[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12](/static/images/loading.7a8cbb7079d7.gif)
VLA-UCB-50c39ae8-2
MAT-POS-1bed62cf-2
MAT-POS-1bed62cf-1
MAT-POS-1bed62cf-3
EDJ-MED-b6c6ee2b-7
EDJ-MED-b6c6ee2b-4
EDJ-MED-b6c6ee2b-3
EDJ-MED-b6c6ee2b-5
EDJ-MED-b6c6ee2b-1
EDJ-MED-b6c6ee2b-6
EDJ-MED-b6c6ee2b-2
PET-UNK-94036022-14
PET-UNK-94036022-13
PET-UNK-94036022-12
PET-UNK-94036022-11
PET-UNK-94036022-10
PET-UNK-94036022-8
PET-UNK-94036022-7
PET-UNK-94036022-6
PET-UNK-94036022-4
PET-UNK-94036022-3
PET-UNK-94036022-2
PET-UNK-94036022-1
PET-UNK-94036022-9
PET-UNK-94036022-5
PET-UNK-df7eb4e6-8
PET-UNK-df7eb4e6-7
PET-UNK-df7eb4e6-6
PET-UNK-df7eb4e6-4
PET-UNK-df7eb4e6-3
PET-UNK-df7eb4e6-2
PET-UNK-df7eb4e6-1
PET-UNK-df7eb4e6-5
VLA-UNK-61877630-9
VLA-UNK-61877630-7
VLA-UNK-61877630-6
VLA-UNK-61877630-5
VLA-UNK-61877630-4
VLA-UNK-61877630-2
VLA-UNK-61877630-10
VLA-UNK-61877630-8
VLA-UNK-61877630-1
VLA-UNK-61877630-3
VLA-UNK-e334495f-4
VLA-UNK-e334495f-3
VLA-UNK-e334495f-2
VLA-UNK-e334495f-1
EDJ-MED-accc2c4d-3
EDJ-MED-accc2c4d-2
EDJ-MED-accc2c4d-1
EDJ-MED-accc2c4d-4
MIK-ENA-5d9157e9-2
1.000
ALP-POS-ecbed2ba-4
1.000
MIK-ENA-5d9157e9-1
1.000
ALP-POS-ecbed2ba-8
0.936
ALP-POS-ecbed2ba-15
0.917
ALP-POS-ecbed2ba-11
0.880
ALP-POS-ecbed2ba-2
0.871
EDJ-MED-4138fde9-7
0.869
PET-UNK-94036022-9
0.865
PET-UNK-94036022-2
0.865
ALP-POS-133e7cd9-2
0.848
EDJ-MED-b6c6ee2b-4
0.808
ALP-POS-ecbed2ba-3
0.806
PET-UNK-94036022-3
0.806
PET-UNK-94036022-10
0.806
EDJ-MED-accc2c4d-3
0.806
ALP-POS-ecbed2ba-22
0.804
EDJ-MED-accc2c4d-1
0.790
VLA-UNK-61877630-8
0.786
VLA-UNK-e334495f-2
0.786
VLA-UNK-61877630-10
0.775
ALP-POS-ecbed2ba-6
0.775
EDJ-MED-5cd3920d-5
0.775
EDJ-MED-5cd3920d-6
0.775
MAT-POS-853c0ffa-13
0.769
ALP-POS-ecbed2ba-13
0.767
ALP-POS-ecbed2ba-1
0.767
EDJ-MED-3707c4bc-1
0.752
EDJ-MED-3707c4bc-2
0.752
MAT-POS-853c0ffa-15
0.748
MIK-ENA-bb7b6957-1
0.741
EDJ-MED-5cd3920d-2
0.741
EDJ-MED-b6c6ee2b-3
0.741
MIK-ENA-60569a44-1
0.741
ALP-POS-ecbed2ba-5
0.740
EDJ-MED-4138fde9-8
0.738
EDJ-MED-accc2c4d-4
0.735
MAT-POS-853c0ffa-11
0.734
ALP-POS-c3a90b22-7
0.731
MAT-POS-38eb6498-2
0.730
PET-UNK-143b31ee-1
0.729
PET-UNK-143b31ee-4
0.729
VLA-UNK-61877630-7
0.726
VLA-UNK-e334495f-1
0.726
EDJ-MED-7587a9ee-3
0.724
MAT-POS-853c0ffa-6
0.724
EDJ-MED-ee81482e-1
0.723
EDJ-MED-5cd3920d-1
0.721
LUO-POS-ed2cfb03-2
0.720
MAT-POS-1d5ab790-1
0.717
MAT-POS-853c0ffa-5
0.717
EDJ-MED-4138fde9-9
0.717
LUO-POS-8484f2d3-1
0.713
MAT-POS-853c0ffa-9
0.713
MAT-POS-38eb6498-1
0.713
MIK-ENA-8063e9dc-1
0.713
LUO-POS-8484f2d3-2
0.713
MIK-ENA-7066949b-1
0.713
EDJ-MED-ee81482e-2
0.711
PET-UNK-df7eb4e6-3
0.710
PET-UNK-df7eb4e6-7
0.710
ALP-POS-ecbed2ba-20
0.710
MAT-POS-1a788f51-1
0.708
LUO-POS-868e8996-9
0.708
LUO-POS-868e8996-10
0.708
ALP-POS-ecbed2ba-17
0.708
MAT-POS-1bed62cf-1
0.708
MAT-POS-40ad851a-4
0.707
EDJ-MED-ee81482e-4
0.701
ALP-POS-ecbed2ba-9
0.698
EDJ-MED-accc2c4d-2
0.698
MAT-POS-1a788f51-2
0.696
LUO-POS-f7b1afe6-1
0.695
ALP-POS-01611061-2
0.695
MAT-POS-40ad851a-2
0.695
LUO-POS-d1147590-1
0.692
EDJ-MED-4138fde9-1
0.690
LUO-POS-e1dab717-15
0.688
ALP-POS-ecbed2ba-16
0.688
MAT-POS-40ad851a-3
0.686
ALP-POS-ecbed2ba-18
0.686
PET-UNK-c6bcc80b-4
0.684
PET-UNK-c6bcc80b-11
0.684
PET-UNK-143b31ee-2
0.682
PET-UNK-143b31ee-5
0.682
EDJ-MED-ee81482e-5
0.678
EDJ-MED-468565e0-5
0.678
EDJ-MED-468565e0-1
0.678
LUO-POS-ed2cfb03-1
0.676
ALP-POS-01611061-3
0.676
EDJ-MED-ee81482e-3
0.669
EDJ-MED-a12e3a20-1
0.667
EDJ-MED-7e491f08-1
0.667
MAT-POS-40ad851a-5
0.667
LUO-POS-e1dab717-16
0.667
MAT-POS-1a788f51-3
0.667
ALP-POS-ecbed2ba-19
0.667
ALP-POS-ecbed2ba-21
0.664
MAT-POS-1a788f51-4
0.661
EDJ-MED-468565e0-4
0.661