Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c[nH]c(=O)c2ccccc12 |
| MW: | 312.07 |
| Fraction sp3: | 0.06 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 61.96 |
| cLogP: | 3.36 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-05-26 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-19
1.000
MAT-POS-bb423b95-6
1.000
JIN-POS-6dc588a4-5
0.609
MAT-POS-4211dce8-1
0.548
RUB-POS-1325a9ea-17
0.507
ROB-UNI-daaf9793-1
0.500
MAT-POS-e1b5ac6b-1
0.500
JOH-UNI-6fede743-1
0.494
JIN-POS-6dc588a4-24
0.494
JIN-POS-6dc588a4-23
0.487
ADA-UCB-6c2cb422-1
0.474
JAN-GHE-5a013bed-10
0.465
EDJ-MED-50fe53e8-2
0.462
MAT-POS-f7918075-6
0.462
MIC-UNK-d935700b-1
0.461
EDG-MED-0da5ad92-21
0.458
SAM-UNK-2684b532-13
0.458
ALP-POS-95b75b4d-8
0.458
MIC-UNK-d935700b-2
0.456
EDJ-MED-c8e7a002-11
0.455
NAU-LAT-a5c7d7cb-10
0.455
EDG-MED-0da5ad92-14
0.452
ALP-POS-95b75b4d-6
0.452
JAN-GHE-5a013bed-11
0.451
MAT-POS-bb423b95-1
0.449
MAT-POS-bb423b95-9
0.449
VLA-UNK-4cf5aa07-2
0.447
MAK-UNK-6ca90168-23
0.447
TRY-UNI-714a760b-6
0.446
JIN-POS-6dc588a4-13
0.443
JIN-POS-6dc588a4-3
0.442
EDG-MED-0da5ad92-16
0.438
JIN-POS-6dc588a4-12
0.438
JIN-POS-6dc588a4-21
0.438
RUB-POS-1325a9ea-5
0.438
VLA-UCB-00f2c2b3-7
0.436
TRY-UNI-714a760b-3
0.434
AGN-NEW-c7b24fe3-4
0.434
AGN-NEW-c7b24fe3-5
0.434
JOH-UNI-abfda500-5
0.434
JOH-UNI-abfda500-4
0.434
ANN-UNI-98d2bf15-3
0.434
VLA-UNK-4cf5aa07-1
0.434
EDG-MED-0da5ad92-17
0.434
PET-UNK-158bee2a-1
0.434
MIC-UNK-8971c93c-1
0.432
MIC-UNK-08cd9c58-1
0.432
MAT-POS-f7918075-3
0.432
MAT-POS-f7918075-4
0.432
EDG-MED-0da5ad92-2
0.431
MIC-UNK-66895286-1
0.431
PET-UNK-158bee2a-4
0.431
MAT-POS-bb423b95-4
0.430
ALP-POS-95b75b4d-5
0.430
AGN-NEW-c7b24fe3-1
0.429
RUB-POS-1325a9ea-1
0.427
RUB-POS-1325a9ea-4
0.427
JIN-POS-6dc588a4-18
0.427
MAT-POS-90fd5f68-40
0.427
MAT-POS-f7918075-7
0.427
PET-UNK-8df914d1-3
0.427
ALP-POS-0c2c77e1-1
0.425
NAU-LAT-a5c7d7cb-11
0.425
RUB-POS-1325a9ea-13
0.425
MAT-POS-bb423b95-3
0.425
JIN-POS-6dc588a4-6
0.425
JIN-POS-6dc588a4-4
0.423
SAM-UNK-2684b532-11
0.423
SAM-UNK-2684b532-12
0.423
MAT-POS-bb423b95-5
0.423
RUB-POS-1325a9ea-19
0.423
PET-UNK-158bee2a-2
0.423
JAN-GHE-5a013bed-9
0.423
ABI-SAT-4d06482b-2
0.421
EDG-MED-0da5ad92-18
0.421
JIN-POS-6dc588a4-14
0.420
PET-UNK-b1ef24dc-3
0.420
MAT-POS-f7918075-5
0.420
JAN-GHE-5a013bed-4
0.419
EDJ-MED-49816e9b-2
0.419
JIN-POS-6dc588a4-8
0.418
ALP-POS-95b75b4d-7
0.418
NAU-LAT-e1818702-10
0.417
JAN-GHE-5a013bed-7
0.417
MAT-POS-f7918075-8
0.415
RUB-POS-1325a9ea-15
0.415
JIN-POS-6dc588a4-2
0.412
EDJ-MED-c8e7a002-12
0.412
JIN-POS-6dc588a4-9
0.412
JIN-POS-6dc588a4-7
0.412
JOH-UNI-f51e3bbc-1
0.411
EDJ-MED-ba7e64f2-2
0.411
JAN-GHE-5a013bed-8
0.411
JOH-UNI-6fede743-4
0.407
MAT-POS-3cc264b0-1
0.407
PET-UNK-7f7e354d-7
0.407
EDJ-MED-50fe53e8-1
0.407
RUB-POS-1325a9ea-12
0.407
JIN-POS-6dc588a4-22
0.407
MAT-POS-c20a539d-2
0.405