Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1ncnc2ccccc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-07 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-21
0.526
VLA-UNK-4cf5aa07-2
0.521
VLA-UNK-4cf5aa07-1
0.507
PET-UNK-158bee2a-1
0.507
JIN-POS-6dc588a4-8
0.507
MAT-POS-f7918075-6
0.494
EDJ-MED-50fe53e8-2
0.494
EDJ-MED-c8e7a002-11
0.487
NAU-LAT-a5c7d7cb-10
0.487
NAU-LAT-a5c7d7cb-11
0.474
EDJ-MED-50fe53e8-1
0.474
MAT-POS-3cc264b0-1
0.474
JAN-GHE-5a013bed-3
0.468
MAT-POS-199e2e7c-2
0.468
JIN-POS-6dc588a4-2
0.462
RUB-POS-1325a9ea-17
0.462
JAN-GHE-5a013bed-9
0.457
JOH-UNI-6fede743-1
0.450
JIN-POS-6dc588a4-24
0.450
ADA-UCB-6c2cb422-1
0.449
ALP-POS-3b848b35-3
0.449
PET-UNK-158bee2a-4
0.444
JIN-POS-6dc588a4-23
0.444
EDJ-MED-50fe53e8-3
0.443
EDG-MED-0da5ad92-15
0.440
JOH-UNI-6fede743-4
0.438
PET-UNK-158bee2a-2
0.437
JIN-POS-6dc588a4-5
0.436
EDJ-MED-c8e7a002-9
0.432
RUB-POS-1325a9ea-18
0.432
MIC-UNK-08cd9c58-1
0.427
JOH-UNI-6fede743-2
0.427
EDJ-MED-c8e7a002-15
0.427
MAT-POS-f7918075-3
0.427
EDJ-MED-49816e9b-3
0.427
MAT-POS-4211dce8-1
0.425
JAN-GHE-5a013bed-8
0.425
JAN-GHE-5a013bed-11
0.425
JOH-UNI-3fc3434e-8
0.422
JOH-UNI-ee5ed7c8-8
0.422
JIN-POS-6dc588a4-13
0.420
JOH-UNI-3fc3434e-11
0.419
JOH-UNI-ee5ed7c8-11
0.419
JAN-GHE-5a013bed-6
0.417
ABI-SAT-4d06482b-2
0.416
EDJ-MED-c8e7a002-16
0.415
JIN-POS-6dc588a4-16
0.415
JIN-POS-6dc588a4-10
0.415
JIN-POS-6dc588a4-15
0.415
EDG-MED-0da5ad92-21
0.413
EDJ-MED-49816e9b-2
0.413
EDG-MED-0da5ad92-13
0.413
MAT-POS-bfb445d4-2
0.412
JOH-UNI-6fede743-3
0.412
MAT-POS-bb423b95-6
0.412
JIN-POS-6dc588a4-19
0.412
NAU-LAT-e1818702-10
0.411
JAN-GHE-5a013bed-7
0.411
EDG-MED-0da5ad92-12
0.408
EDG-MED-0da5ad92-14
0.408
MAT-POS-bb423b95-1
0.407
MAT-POS-bb423b95-9
0.407
EDG-MED-0da5ad92-2
0.405
MIC-UNK-66895286-1
0.405
ROB-UNI-daaf9793-1
0.402
MAT-POS-e1b5ac6b-1
0.402
EDJ-MED-c8e7a002-13
0.402
EDJ-MED-c8e7a002-14
0.402
JAN-GHE-5a013bed-2
0.400
VLA-UNK-411a133b-2
0.400
PET-UNK-8df914d1-5
0.400
JAN-GHE-5a013bed-10
0.400
MIC-UNK-d935700b-2
0.398
PET-UNK-b1ef24dc-4
0.398
RUB-POS-1325a9ea-5
0.398
MAT-POS-bb423b95-8
0.398
EDG-MED-0da5ad92-18
0.397
EDJ-MED-c8e7a002-1
0.395
PET-UNK-e44ffd04-1
0.395
NAU-LAT-a5c7d7cb-12
0.395
BEN-DND-02317c5c-8
0.395
VLA-UNK-411a133b-1
0.395
PET-UNK-158bee2a-3
0.395
ALP-POS-95b75b4d-8
0.395
SAM-UNK-2684b532-13
0.395
JAG-UCB-a3ef7265-15
0.395
JAG-UCB-a3ef7265-17
0.395
NAU-LAT-e1818702-7
0.395
EDG-MED-0da5ad92-16
0.395
PET-UNK-8df914d1-4
0.395
JAN-GHE-5a013bed-5
0.394
RUB-POS-1325a9ea-15
0.393
ANN-UNI-98d2bf15-3
0.392
JOH-UNI-abfda500-4
0.392
EDG-MED-0da5ad92-17
0.392
RUB-POS-1325a9ea-22
0.392
AGN-NEW-c7b24fe3-4
0.392
JOH-UNI-abfda500-5
0.392
AGN-NEW-c7b24fe3-5
0.392
PET-UNK-8df914d1-2
0.390