Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1=NC(=O)c2ccccc21 |
| MW: | 298.05 |
| Fraction sp3: | 0.06 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 58.53 |
| cLogP: | 2.6 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-28 |
ADA-UCB-6c2cb422-1
JAN-GHE-5a013bed-9
0.485
VLA-UNK-411a133b-2
0.464
MIC-UNK-66895286-1
0.449
EDJ-MED-50fe53e8-3
0.447
JAN-GHE-5a013bed-10
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ROB-UNI-daaf9793-3
0.442
MAT-POS-bb423b95-3
0.442
ALP-POS-0c2c77e1-1
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PET-UNK-158bee2a-2
0.441
JAN-GHE-5a013bed-6
0.441
JAG-UCB-a3ef7265-15
0.437
JAG-UCB-a3ef7265-17
0.437
NAU-LAT-e1818702-7
0.437
PET-UNK-8df914d1-4
0.437
VLA-UNK-411a133b-1
0.437
NAU-LAT-e1818702-10
0.435
JAN-GHE-5a013bed-7
0.435
BEN-DND-02317c5c-8
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PET-UNK-e44ffd04-1
0.434
NAU-LAT-a5c7d7cb-12
0.434
EDJ-MED-49816e9b-3
0.431
EDJ-MED-49816e9b-5
0.431
EDG-MED-0da5ad92-14
0.431
ALP-POS-95b75b4d-6
0.431
EDG-MED-0da5ad92-12
0.431
EDJ-MED-c8e7a002-2
0.430
MAT-POS-4211dce8-1
0.429
JAN-GHE-5a013bed-8
0.429
JAN-GHE-5a013bed-11
0.429
EDG-MED-0da5ad92-2
0.429
PET-UNK-158bee2a-4
0.429
AGN-NEW-c7b24fe3-1
0.427
NAU-LAT-a5c7d7cb-11
0.423
ABI-SAT-4d06482b-2
0.419
PET-UNK-158bee2a-3
0.417
SAM-UNK-2684b532-13
0.417
ALP-POS-95b75b4d-8
0.417
EDG-MED-0da5ad92-13
0.417
EDJ-MED-49816e9b-2
0.417
EDG-MED-0da5ad92-16
0.417
EDG-MED-0da5ad92-21
0.417
VLA-UNK-4cf5aa07-1
0.413
PET-UNK-158bee2a-1
0.413
AGN-NEW-c7b24fe3-4
0.413
JIN-POS-6dc588a4-9
0.410
PET-UNK-8df914d1-2
0.410
VLA-UNK-4cf5aa07-2
0.408
MAK-UNK-6ca90168-23
0.408
PET-UNK-8df914d1-3
0.405
EDG-MED-0da5ad92-15
0.405
TRY-UNI-714a760b-6
0.405
NAU-LAT-e1818702-8
0.405
EDJ-MED-50fe53e8-2
0.405
EDJ-MED-50fe53e8-4
0.405
MAT-POS-f7918075-6
0.405
BEN-DND-02317c5c-9
0.405
JOH-UNI-6fede743-4
0.405
SAM-UNK-2684b532-11
0.403
ALP-POS-8b8a49e1-6
0.403
RUB-POS-1325a9ea-16
0.403
MIC-UNK-d935700b-1
0.403
MAT-POS-bb423b95-5
0.403
EDJ-MED-6e43a462-4
0.400
EDG-MED-0da5ad92-18
0.400
JOH-UNI-6fede743-1
0.400
MAT-POS-bb423b95-6
0.397
JOH-UNI-6fede743-3
0.397
ALP-POS-3b848b35-3
0.397
JIN-POS-6dc588a4-19
0.397
ALP-POS-95b75b4d-7
0.397
EDJ-MED-c8e7a002-11
0.397
NAU-LAT-a5c7d7cb-10
0.397
ADA-UCB-6c2cb422-1
0.397
JIN-POS-6dc588a4-8
0.397
JAN-GHE-5a013bed-5
0.397
EDJ-MED-6e43a462-8
0.395
EDJ-MED-b24713dc-3
0.395
JOH-UNI-6fede743-2
0.395
EDG-MED-0da5ad92-17
0.395
JOH-UNI-abfda500-4
0.395
ANN-UNI-98d2bf15-3
0.395
JOH-UNI-abfda500-5
0.395
TRY-UNI-714a760b-3
0.395
AGN-NEW-c7b24fe3-5
0.395
JIN-POS-6dc588a4-7
0.392
ROB-UNI-daaf9793-4
0.392
RUB-POS-1325a9ea-17
0.392
MIC-UNK-50cce87d-2
0.392
BEN-DND-1e24cf73-1
0.392
EDJ-MED-6ab52e52-1
0.392
EDJ-MED-6e43a462-9
0.392
EDJ-MED-c8e7a002-12
0.392
ALP-POS-95b75b4d-5
0.392
MAT-POS-bb423b95-4
0.392
JOH-UNI-ee5ed7c8-8
0.390
MAT-POS-f7918075-7
0.390
RUB-POS-1325a9ea-1
0.390
JOH-UNI-3fc3434e-8
0.390
JAN-GHE-f4ca5a00-12
0.390
NAU-LAT-e1818702-1
0.390