Molecule Details
| Molecular Properties | |
| SMILES: | CN(c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1)S(C)(=O)=O |
| MW: | 403.08 |
| Fraction sp3: | 0.16 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 3.47 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 2.69892406981823 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-03 |
Hetero_hetero
MAT-POS-90fd5f68-7
0.773
MAT-POS-90fd5f68-28
0.716
MAT-POS-90fd5f68-18
0.663
MAT-POS-c20a539d-8
0.659
MAT-POS-90fd5f68-3
0.659
MAT-POS-90fd5f68-9
0.659
MAT-POS-90fd5f68-12
0.651
MAT-POS-29385cc1-3
0.646
MAT-POS-c20a539d-6
0.646
PET-UNK-7fb4f80a-1
0.643
MAT-POS-bb423b95-8
0.641
MAT-POS-90fd5f68-17
0.639
MAT-POS-90fd5f68-11
0.634
JIN-POS-6dc588a4-11
0.633
MIC-UNK-4fbd4db9-5
0.629
MAT-POS-90fd5f68-2
0.627
MIC-UNK-9dc9fcd1-3
0.625
MAT-POS-c20a539d-1
0.622
MAT-POS-90fd5f68-4
0.622
MAT-POS-c20a539d-4
0.622
MIC-UNK-fbef42b7-2
0.621
MIC-UNK-9dc9fcd1-1
0.619
MIC-UNK-9dc9fcd1-5
0.618
MAT-POS-90fd5f68-38
0.617
MAT-POS-90fd5f68-41
0.614
MIC-UNK-4fbd4db9-1
0.611
MAT-POS-90fd5f68-1
0.610
MIC-UNK-fbef42b7-1
0.609
MAT-POS-c0609ef7-1
0.602
MAT-POS-c20a539d-5
0.602
PET-UNK-6314f867-2
0.602
MIC-UNK-9dc9fcd1-2
0.598
MIC-UNK-4fbd4db9-3
0.593
MIC-UNK-4fbd4db9-6
0.591
MIC-UNK-9dc9fcd1-4
0.589
MAT-POS-90fd5f68-13
0.589
MAT-POS-90fd5f68-6
0.588
MAT-POS-90fd5f68-25
0.583
PET-UNK-d899bab6-1
0.583
ADA-UCB-6c2cb422-1
0.582
MAT-POS-90fd5f68-15
0.576
MAT-POS-bb423b95-1
0.575
MIC-UNK-4fbd4db9-2
0.574
PET-UNK-d899bab6-2
0.570
MIC-UNK-4fbd4db9-4
0.568
PET-UNK-c6bcc80b-7
0.568
MAT-POS-90fd5f68-27
0.563
MAT-POS-90fd5f68-8
0.562
MAT-POS-c20a539d-2
0.560
PET-UNK-d899bab6-3
0.558
PET-UNK-7fb4f80a-3
0.556
MAT-POS-90fd5f68-5
0.556
MAT-POS-90fd5f68-36
0.551
PET-UNK-7fb4f80a-4
0.549
MAT-POS-90fd5f68-21
0.545
MAT-POS-c20a539d-3
0.545
MAK-UNK-ffc90da7-8
0.543
MAK-UNK-ffc90da7-5
0.543
MAK-UNK-ffc90da7-3
0.543
PET-UNK-b38839dc-2
0.540
PET-UNK-f4e47ebd-2
0.540
MAT-POS-90fd5f68-30
0.539
PET-UNK-7fb4f80a-2
0.539
MAT-POS-29385cc1-2
0.534
RUB-POS-1325a9ea-4
0.529
PET-UNK-b38839dc-1
0.528
MAT-POS-29385cc1-1
0.528
MAT-POS-90fd5f68-35
0.528
MAT-POS-f7918075-5
0.524
MAT-POS-90fd5f68-29
0.523
PET-UNK-8df914d1-1
0.517
EDJ-MED-00c1612e-1
0.517
MAT-POS-90fd5f68-40
0.512
MAT-POS-8feb6e35-1
0.511
MAT-POS-90fd5f68-22
0.511
EDJ-MED-c5ca5386-2
0.511
MAT-POS-c20a539d-7
0.511
EDJ-MED-f9b78f78-2
0.510
MAT-POS-90fd5f68-37
0.506
MAT-POS-90fd5f68-20
0.506
PET-UNK-f4e47ebd-1
0.506
MAT-POS-90fd5f68-14
0.505
MAT-POS-90fd5f68-39
0.500
MAT-POS-8feb6e35-2
0.500
MIC-UNK-51049f1a-6
0.500
RUB-POS-1325a9ea-15
0.500
MAT-POS-90fd5f68-19
0.500
MAK-UNK-ffc90da7-9
0.495
MAT-POS-90fd5f68-16
0.495
MAT-POS-90fd5f68-31
0.495
EDJ-MED-94fddcec-1
0.490
MAT-POS-90fd5f68-24
0.489
RUB-POS-1325a9ea-3
0.488
MIC-UNK-50cce87d-3
0.488
RUB-POS-1325a9ea-5
0.488
PET-UNK-b1ef24dc-3
0.488
JIN-POS-6dc588a4-12
0.488
EDJ-MED-211392e3-3
0.486
EDJ-MED-70ab3faf-3
0.485
MAT-POS-bb423b95-9
0.482