Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 353.09 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 71.09 |
| cLogP: | 3.43 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.899304285674734 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
MAT-POS-90fd5f68-26
0.766
MAT-POS-90fd5f68-37
0.764
MAT-POS-90fd5f68-19
0.753
MAT-POS-90fd5f68-21
0.737
MAT-POS-90fd5f68-2
0.701
RUB-POS-1325a9ea-4
0.680
PET-UNK-d899bab6-1
0.675
MAT-POS-90fd5f68-25
0.675
EDJ-MED-00c1612e-1
0.662
PET-UNK-8df914d1-1
0.662
MAT-POS-90fd5f68-40
0.658
MAT-POS-90fd5f68-22
0.654
MAT-POS-90fd5f68-35
0.650
MAT-POS-90fd5f68-27
0.650
MAT-POS-90fd5f68-39
0.637
MAT-POS-90fd5f68-29
0.625
PET-UNK-7fb4f80a-2
0.622
MAT-POS-90fd5f68-30
0.622
MAT-POS-90fd5f68-36
0.614
ADA-UCB-6c2cb422-1
0.613
MAT-POS-f7918075-5
0.610
MAT-POS-c20a539d-2
0.608
MAT-POS-c20a539d-7
0.607
MAT-POS-90fd5f68-28
0.607
MAT-POS-90fd5f68-24
0.602
MAT-POS-90fd5f68-23
0.588
MAT-POS-90fd5f68-31
0.586
PET-UNK-b38839dc-2
0.585
MAT-POS-29385cc1-2
0.578
PET-UNK-b38839dc-1
0.571
MAT-POS-29385cc1-1
0.571
MAT-POS-90fd5f68-38
0.568
MAT-POS-90fd5f68-33
0.567
PET-UNK-d899bab6-3
0.566
PET-UNK-f4e47ebd-1
0.566
MAT-POS-bb423b95-1
0.564
MAT-POS-90fd5f68-1
0.561
PET-UNK-d899bab6-2
0.560
PET-UNK-c6bcc80b-7
0.558
MAT-POS-29385cc1-3
0.556
MAT-POS-c20a539d-6
0.556
MAT-POS-90fd5f68-7
0.554
MAT-POS-90fd5f68-4
0.554
MAT-POS-90fd5f68-3
0.553
MAT-POS-c20a539d-3
0.553
MAT-POS-90fd5f68-8
0.552
MAT-POS-bb423b95-8
0.550
MAK-UNK-ffc90da7-6
0.548
JIN-POS-6dc588a4-11
0.543
PET-UNK-6314f867-2
0.536
MAT-POS-c20a539d-5
0.536
MAT-POS-c20a539d-1
0.536
MAT-POS-c20a539d-4
0.536
MAT-POS-90fd5f68-17
0.535
MAT-POS-90fd5f68-32
0.532
PET-UNK-b1ef24dc-3
0.531
PET-UNK-f4e47ebd-2
0.529
MAT-POS-90fd5f68-41
0.529
MAT-POS-90fd5f68-12
0.529
PET-UNK-7fb4f80a-3
0.528
PET-UNK-8df914d1-3
0.526
MAT-POS-90fd5f68-18
0.523
MIC-UNK-fbef42b7-2
0.522
PET-UNK-7fb4f80a-4
0.522
MIC-UNK-9dc9fcd1-5
0.522
PET-UNK-7f7e354d-7
0.519
JIN-POS-6dc588a4-18
0.518
MAT-POS-c0609ef7-1
0.518
MAT-POS-c20a539d-8
0.517
MAT-POS-90fd5f68-9
0.517
MAT-POS-90fd5f68-34
0.515
EDJ-MED-c5ca5386-1
0.512
PET-UNK-b1ef24dc-4
0.512
RUB-POS-1325a9ea-5
0.512
MAT-POS-29385cc1-4
0.512
MAT-POS-90fd5f68-11
0.512
MIC-UNK-9dc9fcd1-4
0.511
MAT-POS-bb423b95-9
0.506
MIC-UNK-51049f1a-6
0.506
RUB-POS-1325a9ea-15
0.506
MIC-UNK-7574fcc6-1
0.506
MAT-POS-90fd5f68-6
0.506
MAT-POS-90fd5f68-10
0.506
PET-UNK-7fb4f80a-1
0.506
RUB-POS-1325a9ea-9
0.500
PET-UNK-e274cad4-6
0.500
RUB-POS-1325a9ea-13
0.500
EDJ-MED-c5ca5386-2
0.500
MIC-UNK-50cce87d-4
0.500
MIC-UNK-9dc9fcd1-1
0.500
JIN-POS-6dc588a4-13
0.500
JIN-POS-6dc588a4-22
0.500
MIC-UNK-9dc9fcd1-3
0.495
MIC-UNK-50cce87d-3
0.494
RUB-POS-1325a9ea-3
0.494
JIN-POS-6dc588a4-14
0.494
JIN-POS-6dc588a4-12
0.494
TRY-UNI-714a760b-3
0.494
MAT-POS-8feb6e35-2
0.489
RAL-THA-1d44ff04-5
0.489