Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(=O)O |
| MW: | 290.05 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 79.29 |
| cLogP: | 2.61 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Shipped: | 2021-01-28 |
JOH-UNI-abfda500-5
0.767
ANN-UNI-98d2bf15-3
0.767
JOH-UNI-abfda500-7
0.667
ALP-POS-95b75b4d-8
0.645
SAM-UNK-2684b532-13
0.645
ALP-POS-95b75b4d-6
0.635
TRY-UNI-714a760b-6
0.625
MAK-UNK-6ca90168-23
0.597
MAT-POS-bb423b95-5
0.588
SAM-UNK-2684b532-11
0.588
JIN-POS-6dc588a4-4
0.588
JIN-POS-6dc588a4-3
0.588
RUB-POS-1325a9ea-19
0.588
SAM-UNK-2684b532-12
0.588
ALP-POS-0c2c77e1-1
0.586
MAT-POS-bb423b95-3
0.586
ALP-POS-95b75b4d-7
0.580
ALP-POS-95b75b4d-5
0.571
MAT-POS-bb423b95-4
0.571
JIN-POS-6dc588a4-6
0.563
JAN-GHE-5a013bed-10
0.554
MAT-POS-bb423b95-1
0.549
MAT-POS-bb423b95-9
0.549
ABI-SAT-4d06482b-2
0.544
EDG-MED-0da5ad92-2
0.538
MAT-POS-f7918075-5
0.534
PET-UNK-8df914d1-3
0.529
JIN-POS-6dc588a4-22
0.521
JIN-POS-6dc588a4-13
0.521
JAN-GHE-5a013bed-8
0.515
TRY-UNI-714a760b-3
0.514
JAN-GHE-5a013bed-9
0.508
RUB-POS-1325a9ea-8
0.507
EDG-MED-0da5ad92-16
0.500
EDG-MED-0da5ad92-21
0.500
MAT-POS-bb423b95-2
0.493
MAT-POS-bb423b95-8
0.493
JIN-POS-6dc588a4-10
0.493
PET-UNK-b1ef24dc-4
0.493
RUB-POS-1325a9ea-5
0.493
ADA-UCB-6c2cb422-1
0.493
EDG-MED-0da5ad92-14
0.493
EDJ-MED-a364e151-1
0.487
MAT-POS-f7918075-8
0.487
MIC-UNK-08cd9c58-1
0.487
MAT-POS-f7918075-3
0.487
MIC-UNK-50cce87d-2
0.486
PET-UNK-158bee2a-2
0.485
RUB-POS-1325a9ea-1
0.481
JOH-UNI-61f30276-4
0.481
MAT-POS-f7918075-7
0.481
JIN-POS-6dc588a4-18
0.481
EDJ-MED-a364e151-3
0.480
RUB-POS-1325a9ea-12
0.480
RUB-POS-1325a9ea-13
0.480
PET-UNK-e274cad4-6
0.480
PET-UNK-7f7e354d-7
0.480
PET-UNK-b1ef24dc-1
0.480
PET-UNK-b1ef24dc-2
0.480
MAT-POS-199e2e7c-1
0.474
JIN-POS-6dc588a4-14
0.474
RUB-POS-1325a9ea-2
0.474
MIC-UNK-50cce87d-3
0.474
RUB-POS-1325a9ea-11
0.474
EDJ-MED-076d6e64-1
0.474
MIC-UNK-50cce87d-1
0.474
RUB-POS-1325a9ea-3
0.474
PET-UNK-b1ef24dc-3
0.474
JIN-POS-6dc588a4-12
0.474
AGN-NEW-c7b24fe3-4
0.472
EDG-MED-0da5ad92-17
0.472
AGN-NEW-c7b24fe3-5
0.472
EDG-MED-0da5ad92-12
0.471
MIC-UNK-66895286-1
0.471
JIN-POS-6dc588a4-11
0.468
RUB-POS-1325a9ea-15
0.468
MIC-UNK-7574fcc6-1
0.468
MAT-POS-f7918075-4
0.468
MIC-UNK-8971c93c-1
0.468
EDJ-MED-a364e151-2
0.468
EDJ-MED-c8e7a002-12
0.467
AGN-NEW-c7b24fe3-1
0.466
EDG-MED-0da5ad92-6
0.465
JAN-GHE-5a013bed-6
0.463
JIN-POS-6dc588a4-20
0.463
MAT-POS-14ad9fe9-1
0.463
MAT-POS-c0609ef7-1
0.463
RUB-POS-1325a9ea-9
0.462
MAT-POS-29385cc1-3
0.462
RUB-POS-1325a9ea-4
0.462
PET-UNK-e274cad4-1
0.462
MIC-UNK-50cce87d-4
0.462
RUB-POS-1325a9ea-14
0.462
MAT-POS-f7918075-6
0.461
EDJ-MED-50fe53e8-2
0.461
MIC-UNK-d935700b-1
0.459
PET-UNK-8df914d1-4
0.457
EDG-MED-0da5ad92-13
0.457
PET-UNK-b38839dc-2
0.457
PET-UNK-d899bab6-3
0.457