Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)c1ccc2c(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)cncc2c1 |
| MW: | 584.1 |
| Fraction sp3: | 0.37 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 128.51 |
| cLogP: | 3.42 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.103376674471105 |
| Order Status | |
| Ordered: | 2021-11-07 |
| Synthesis Location: | enamine |
| Shipped: | 2022-01-12 |
Hetero_hetero
MAT-POS-853c0ffa-22
0.827
MAT-POS-853c0ffa-16
0.796
ALP-POS-ecbed2ba-4
0.748
EDJ-MED-8bb691af-6
0.748
MIK-ENA-5d9157e9-1
0.748
MIK-ENA-5d9157e9-2
0.748
EDJ-MED-b6c6ee2b-4
0.722
PET-UNK-c6bcc80b-11
0.716
PET-UNK-c6bcc80b-4
0.716
ALP-POS-ecbed2ba-8
0.703
MAT-POS-853c0ffa-13
0.690
ALP-POS-ecbed2ba-15
0.690
EDJ-MED-4138fde9-7
0.684
EDJ-MED-5cd3920d-2
0.681
EDJ-MED-b6c6ee2b-3
0.681
MIK-ENA-60569a44-1
0.681
MIK-ENA-bb7b6957-1
0.681
MAT-POS-853c0ffa-11
0.675
ALP-POS-ecbed2ba-11
0.667
PET-UNK-df7eb4e6-3
0.667
PET-UNK-df7eb4e6-7
0.667
ALP-POS-ecbed2ba-2
0.661
MAT-POS-38eb6498-2
0.658
EDJ-MED-9f4ac58c-4
0.658
EDJ-MED-5cd3920d-1
0.650
MAT-POS-853c0ffa-6
0.649
LUO-POS-e1dab717-9
0.647
PET-UNK-94036022-2
0.646
PET-UNK-94036022-9
0.646
LUO-POS-8484f2d3-2
0.645
MIK-ENA-7066949b-1
0.645
MAT-POS-853c0ffa-9
0.645
MAT-POS-38eb6498-1
0.645
LUO-POS-8484f2d3-1
0.645
MIK-ENA-8063e9dc-1
0.645
MAT-POS-853c0ffa-5
0.643
MAT-POS-1d5ab790-1
0.643
EDJ-MED-ee81482e-2
0.642
MAT-POS-1a788f51-2
0.642
EDJ-MED-ee81482e-1
0.639
MAT-POS-1a788f51-1
0.639
ALP-POS-133e7cd9-2
0.638
EDJ-MED-4138fde9-1
0.637
MAT-POS-40ad851a-3
0.635
MAT-POS-40ad851a-2
0.630
ALP-POS-ecbed2ba-3
0.628
MAT-POS-40ad851a-4
0.627
LUO-POS-d1147590-1
0.627
MAT-POS-1a788f51-4
0.625
EDJ-MED-ee81482e-4
0.622
MAT-POS-1a788f51-3
0.617
EDJ-MED-468565e0-1
0.614
EDJ-MED-ee81482e-5
0.614
EDJ-MED-468565e0-5
0.614
EDJ-MED-accc2c4d-3
0.614
EDJ-MED-ee81482e-3
0.608
EDJ-MED-705e09b8-2
0.607
ALP-POS-ecbed2ba-22
0.605
MAT-POS-40ad851a-5
0.605
PET-UNK-94036022-10
0.600
EDJ-MED-468565e0-4
0.600
PET-UNK-94036022-3
0.600
MAT-POS-40ad851a-1
0.594
ALP-POS-ecbed2ba-6
0.593
VLA-UNK-e334495f-2
0.592
VLA-UNK-61877630-8
0.592
EDJ-MED-468565e0-2
0.591
EDJ-MED-accc2c4d-1
0.590
ALP-POS-ecbed2ba-1
0.588
ALP-POS-ecbed2ba-13
0.588
EDJ-MED-468565e0-3
0.586
EDJ-MED-4138fde9-2
0.586
EDJ-MED-7d88f880-3
0.585
EDJ-MED-5cd3920d-5
0.580
EDJ-MED-5cd3920d-6
0.580
VLA-UNK-61877630-10
0.580
MAT-POS-853c0ffa-21
0.575
EDJ-MED-3707c4bc-1
0.573
EDJ-MED-3707c4bc-2
0.573
EDJ-MED-7587a9ee-3
0.571
EDJ-MED-4138fde9-8
0.563
PET-UNK-143b31ee-1
0.561
PET-UNK-143b31ee-4
0.561
MAT-POS-853c0ffa-20
0.556
ALP-POS-ecbed2ba-5
0.554
EDJ-MED-9f4ac58c-8
0.552
MAT-POS-853c0ffa-14
0.548
EDJ-MED-accc2c4d-4
0.546
MAT-POS-853c0ffa-19
0.546
EDJ-MED-9f4ac58c-1
0.545
MAT-POS-853c0ffa-18
0.545
ALP-POS-c3a90b22-7
0.545
VLA-UNK-61877630-7
0.545
VLA-UNK-e334495f-1
0.545
LUO-POS-ed2cfb03-2
0.543
LUO-POS-868e8996-9
0.541
MAT-POS-1bed62cf-1
0.541
LUO-POS-868e8996-10
0.541
ALP-POS-ecbed2ba-17
0.541
LUO-POS-e1dab717-15
0.540