Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nnc2ccccn12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.29 |
| cLogP: | 2.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 93.8621436135832 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-13 |
PET-UNK-8df914d1-2
PET-UNK-e44ffd04-1
1.000
NAU-LAT-a5c7d7cb-12
1.000
PET-UNK-8df914d1-2
0.548
EDJ-MED-50fe53e8-4
0.541
BEN-DND-02317c5c-9
0.541
JAG-UCB-a3ef7265-15
0.522
VLA-UNK-411a133b-2
0.507
NAU-LAT-e1818702-7
0.500
JAG-UCB-a3ef7265-17
0.500
EDJ-MED-50fe53e8-3
0.487
NAU-LAT-e1818702-8
0.481
JIN-POS-6dc588a4-9
0.468
NAU-LAT-e1818702-1
0.467
JAN-GHE-f4ca5a00-12
0.467
NAU-LAT-e1818702-9
0.462
JAN-GHE-5a013bed-11
0.451
EDG-MED-0da5ad92-15
0.446
PET-UNK-158bee2a-2
0.443
VLA-UNK-411a133b-1
0.438
JAN-GHE-5a013bed-7
0.437
NAU-LAT-e1818702-10
0.437
RUB-POS-1325a9ea-22
0.434
EDJ-MED-49816e9b-3
0.432
EDJ-MED-49816e9b-5
0.432
EDJ-MED-b24713dc-1
0.432
MIC-UNK-66895286-1
0.431
EDJ-MED-b24713dc-4
0.427
JIN-POS-6dc588a4-17
0.425
MAT-POS-bb423b95-3
0.425
ALP-POS-0c2c77e1-1
0.425
EDJ-MED-6e43a462-7
0.425
JAN-GHE-5a013bed-6
0.423
JAN-GHE-5a013bed-9
0.423
EDJ-MED-6e43a462-5
0.420
EDJ-MED-6e43a462-4
0.420
EDJ-MED-6e43a462-6
0.420
EDJ-MED-c8e7a002-17
0.420
EDJ-MED-49816e9b-2
0.419
EDG-MED-0da5ad92-16
0.419
PET-UNK-8df914d1-4
0.419
MAT-POS-bfb445d4-2
0.418
EDJ-MED-b24713dc-2
0.418
PET-UNK-158bee2a-1
0.416
VLA-UNK-4cf5aa07-1
0.416
EDJ-MED-6e43a462-8
0.415
ALP-POS-95b75b4d-6
0.413
EDJ-MED-6e43a462-9
0.412
JAN-GHE-5a013bed-8
0.411
PET-UNK-158bee2a-4
0.411
EDG-MED-0da5ad92-2
0.411
VLA-UNK-4cf5aa07-2
0.410
PET-UNK-8df914d1-3
0.408
EDJ-MED-50fe53e8-2
0.407
MAT-POS-f7918075-6
0.407
NAU-LAT-a5c7d7cb-11
0.407
ALP-POS-bad7201a-10
0.407
JAN-GHE-5a013bed-1
0.405
JAN-GHE-5a013bed-10
0.405
EDJ-MED-c8e7a002-7
0.402
EDJ-MED-c8e7a002-8
0.402
SAM-UNK-2684b532-13
0.400
ALP-POS-95b75b4d-8
0.400
EDG-MED-0da5ad92-21
0.400
PET-UNK-158bee2a-3
0.400
ALP-POS-3b848b35-3
0.400
JIN-POS-6dc588a4-19
0.400
JAN-GHE-5a013bed-5
0.400
EDG-MED-0da5ad92-13
0.400
JOH-UNI-6fede743-3
0.400
MAT-POS-bb423b95-6
0.400
EDJ-MED-6e43a462-3
0.398
EDJ-MED-b24713dc-3
0.398
EDJ-MED-6e43a462-10
0.398
JOH-UNI-abfda500-4
0.397
EDG-MED-0da5ad92-17
0.397
JOH-UNI-abfda500-5
0.397
ANN-UNI-98d2bf15-3
0.397
EDJ-MED-6e43a462-1
0.395
RUB-POS-1325a9ea-17
0.395
BEN-DND-1e24cf73-1
0.395
JIN-POS-6dc588a4-2
0.395
JIN-POS-6dc588a4-7
0.395
MAT-POS-4211dce8-1
0.395
EDG-MED-0da5ad92-12
0.395
EDG-MED-0da5ad92-14
0.395
EDJ-MED-6e43a462-12
0.393
EDJ-MED-c8e7a002-4
0.393
CAR-UNK-140e3209-1
0.391
ALP-POS-8ed8d9ec-16
0.391
PET-UNK-e274cad4-6
0.390
MAT-POS-3cc264b0-1
0.390
EDJ-MED-50fe53e8-1
0.390
BEN-DND-1e24cf73-3
0.390
PET-UNK-7f7e354d-7
0.390
TRY-UNI-714a760b-6
0.390
MIC-UNK-f2576da4-1
0.388
JIN-POS-6dc588a4-4
0.388
SAM-UNK-2684b532-12
0.388
PET-UNK-8df914d1-5
0.388
EDJ-MED-7bb79bc5-1
0.386