Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 289.06 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 85.08 |
| cLogP: | 2.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Shipped: | 2021-01-28 |
ANN-UNI-98d2bf15-3
1.000
JOH-UNI-abfda500-4
0.767
ALP-POS-95b75b4d-8
0.645
SAM-UNK-2684b532-13
0.645
ALP-POS-95b75b4d-6
0.635
TRY-UNI-714a760b-6
0.625
SAM-UNK-2684b532-12
0.612
JIN-POS-6dc588a4-4
0.612
ALP-POS-95b75b4d-7
0.603
MAK-UNK-6ca90168-23
0.597
JIN-POS-6dc588a4-3
0.588
MAT-POS-bb423b95-5
0.588
SAM-UNK-2684b532-11
0.588
RUB-POS-1325a9ea-19
0.588
MAT-POS-bb423b95-1
0.571
ALP-POS-95b75b4d-5
0.571
MAT-POS-bb423b95-4
0.571
JIN-POS-6dc588a4-6
0.563
ALP-POS-0c2c77e1-1
0.563
MAT-POS-bb423b95-3
0.563
MAT-POS-f7918075-5
0.556
JAN-GHE-5a013bed-10
0.554
MAT-POS-bb423b95-9
0.549
EDG-MED-0da5ad92-2
0.538
JAN-GHE-5a013bed-8
0.538
TRY-UNI-714a760b-3
0.536
PET-UNK-8df914d1-3
0.529
MAT-POS-90fd5f68-19
0.526
MAT-POS-90fd5f68-1
0.526
ABI-SAT-4d06482b-2
0.522
JIN-POS-6dc588a4-22
0.521
JIN-POS-6dc588a4-13
0.521
ADA-UCB-6c2cb422-1
0.514
MAT-POS-bb423b95-2
0.514
JAN-GHE-5a013bed-9
0.508
MIC-UNK-50cce87d-2
0.507
MIC-UNK-51049f1a-6
0.507
EDJ-MED-6ab52e52-1
0.507
JOH-UNI-abfda500-7
0.507
RUB-POS-1325a9ea-8
0.507
PET-UNK-b1ef24dc-1
0.500
PET-UNK-b1ef24dc-2
0.500
RUB-POS-1325a9ea-12
0.500
EDG-MED-0da5ad92-16
0.500
EDG-MED-0da5ad92-21
0.500
PET-UNK-e274cad4-6
0.500
JOH-UNI-3fc3434e-1
0.494
MAT-POS-90fd5f68-11
0.494
JOH-UNI-ee5ed7c8-1
0.494
MIC-UNK-668ac5de-1
0.494
MIC-UNK-51049f1a-5
0.494
JIN-POS-6dc588a4-14
0.493
RUB-POS-1325a9ea-5
0.493
MAT-POS-bb423b95-8
0.493
RUB-POS-1325a9ea-2
0.493
PET-UNK-b1ef24dc-4
0.493
MIC-UNK-50cce87d-1
0.493
JIN-POS-6dc588a4-10
0.493
EDJ-MED-076d6e64-1
0.493
MIC-UNK-50cce87d-3
0.493
RUB-POS-1325a9ea-3
0.493
EDJ-MED-c5ca5386-1
0.493
EDG-MED-0da5ad92-17
0.493
AGN-NEW-c7b24fe3-5
0.493
EDG-MED-0da5ad92-14
0.493
JIN-POS-6dc588a4-11
0.487
MIC-UNK-7574fcc6-1
0.487
MAT-POS-f7918075-3
0.487
MIC-UNK-08cd9c58-1
0.487
EDJ-MED-c8e7a002-12
0.486
MIC-UNK-9dc9fcd1-2
0.482
MAT-POS-90fd5f68-17
0.481
MAT-POS-90fd5f68-4
0.481
MAT-POS-90fd5f68-22
0.481
JIN-POS-6dc588a4-18
0.481
RUB-POS-1325a9ea-4
0.481
MAT-POS-f7918075-7
0.481
RUB-POS-1325a9ea-1
0.481
JOH-UNI-61f30276-4
0.481
MIC-UNK-50cce87d-4
0.481
MAT-POS-c20a539d-6
0.481
PET-UNK-e274cad4-1
0.481
MAT-POS-29385cc1-3
0.481
RUB-POS-1325a9ea-14
0.481
MAT-POS-90fd5f68-40
0.481
RUB-POS-1325a9ea-9
0.481
RUB-POS-1325a9ea-13
0.480
PET-UNK-7f7e354d-7
0.480
EDJ-MED-a364e151-3
0.480
MIC-UNK-fbef42b7-1
0.476
PET-UNK-b38839dc-2
0.475
MAT-POS-90fd5f68-29
0.475
PET-UNK-6314f867-3
0.474
MAT-POS-29385cc1-4
0.474
MAT-POS-90fd5f68-38
0.474
MAT-POS-c20a539d-2
0.474
MIC-UNK-f2576da4-1
0.474
MAT-POS-90fd5f68-37
0.474
MAT-POS-199e2e7c-1
0.474
RUB-POS-1325a9ea-11
0.474