Molecule Details
| Molecular Properties | |
| SMILES: | Cn1ncc2c(NC(=O)Cc3cccc(Cl)c3)cncc21 |
| MW: | 300.08 |
| Fraction sp3: | 0.13 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.81 |
| cLogP: | 2.8 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 34.0419732461558 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-10 |
ADA-UCB-6c2cb422-1
RUB-POS-1325a9ea-4
0.571
JIN-POS-6dc588a4-13
0.553
RUB-POS-1325a9ea-14
0.551
MAT-POS-29385cc1-3
0.551
PET-UNK-e274cad4-1
0.551
MAT-POS-c20a539d-6
0.551
ADA-UCB-6c2cb422-1
0.547
RUB-POS-1325a9ea-5
0.545
PET-UNK-b1ef24dc-3
0.545
MAT-POS-bb423b95-9
0.539
MAT-POS-bb423b95-1
0.539
JIN-POS-6dc588a4-22
0.532
RUB-POS-1325a9ea-13
0.532
PET-UNK-7f7e354d-7
0.532
JIN-POS-6dc588a4-18
0.532
MAT-POS-c20a539d-4
0.531
MAT-POS-c20a539d-8
0.530
JIN-POS-6dc588a4-12
0.526
MAT-POS-f7918075-5
0.526
PET-UNK-b1ef24dc-4
0.526
MAT-POS-bb423b95-8
0.526
MAT-POS-c20a539d-2
0.525
JAN-GHE-5a013bed-10
0.521
PET-UNK-8df914d1-3
0.521
JIN-POS-6dc588a4-11
0.519
MIC-UNK-08cd9c58-1
0.519
MAT-POS-f7918075-3
0.519
PET-UNK-8df914d1-1
0.519
EDJ-MED-00c1612e-1
0.519
MAT-POS-bb423b95-5
0.513
PET-UNK-e274cad4-6
0.513
MAT-POS-90fd5f68-40
0.512
MAT-POS-90fd5f68-7
0.512
PET-UNK-d899bab6-1
0.512
MAT-POS-90fd5f68-22
0.512
MAT-POS-c20a539d-1
0.512
MAT-POS-90fd5f68-4
0.512
MAT-POS-90fd5f68-25
0.512
MAT-POS-90fd5f68-28
0.512
EDJ-MED-49816e9b-3
0.507
TRY-UNI-714a760b-3
0.507
MAT-POS-90fd5f68-37
0.506
MAT-POS-90fd5f68-38
0.506
PET-UNK-f4e47ebd-2
0.506
PET-UNK-f4e47ebd-1
0.506
PET-UNK-d899bab6-3
0.506
PET-UNK-b38839dc-2
0.506
MAT-POS-90fd5f68-41
0.506
MAT-POS-90fd5f68-20
0.506
MAT-POS-90fd5f68-12
0.506
MAT-POS-29385cc1-2
0.500
MAT-POS-90fd5f68-1
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MAT-POS-90fd5f68-2
0.500
TRY-UNI-714a760b-6
0.500
MAT-POS-90fd5f68-10
0.500
MAT-POS-90fd5f68-19
0.500
MAT-POS-90fd5f68-39
0.500
PET-UNK-d899bab6-2
0.500
MAT-POS-90fd5f68-35
0.494
MAT-POS-c20a539d-3
0.494
MAT-POS-90fd5f68-3
0.494
MAT-POS-90fd5f68-9
0.494
MAT-POS-90fd5f68-21
0.494
PET-UNK-b38839dc-1
0.494
MAT-POS-29385cc1-1
0.494
MAT-POS-90fd5f68-17
0.494
MAT-POS-90fd5f68-27
0.494
PET-UNK-6314f867-2
0.494
MAT-POS-c0609ef7-1
0.494
MAT-POS-c20a539d-5
0.494
EDJ-MED-a364e151-3
0.494
ABI-SAT-4d06482b-2
0.493
SAM-UNK-2684b532-13
0.493
ALP-POS-95b75b4d-8
0.493
MAT-POS-90fd5f68-30
0.488
PET-UNK-7fb4f80a-2
0.488
MAT-POS-90fd5f68-11
0.488
MAT-POS-90fd5f68-29
0.488
MIC-UNK-f2576da4-1
0.488
ALP-POS-95b75b4d-6
0.486
MAT-POS-90fd5f68-36
0.483
MAT-POS-90fd5f68-18
0.483
PET-UNK-c6bcc80b-7
0.483
PET-UNK-7fb4f80a-1
0.483
MAT-POS-90fd5f68-6
0.482
EDJ-MED-6ab52e52-1
0.481
MIC-UNK-50cce87d-2
0.481
MAK-UNK-6ca90168-23
0.481
MAT-POS-c20a539d-7
0.477
MIC-UNK-9dc9fcd1-1
0.477
EDJ-MED-239d8ca5-1
0.476
JIN-POS-6dc588a4-3
0.474
JIN-POS-6dc588a4-4
0.474
SAM-UNK-2684b532-12
0.474
RUB-POS-1325a9ea-19
0.474
PET-UNK-8df914d1-4
0.473
EDG-MED-0da5ad92-16
0.473
EDG-MED-0da5ad92-21
0.473
PET-UNK-7fb4f80a-3
0.472
MAT-POS-90fd5f68-24
0.471