Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-565-170 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 21.6513749569535 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
EDJ-MED-50fe53e8-1
1.000
JOH-UNI-6fede743-4
0.547
ADA-UCB-6c2cb422-1
0.541
RUB-POS-1325a9ea-18
0.539
JOH-UNI-6fede743-2
0.513
JOH-UNI-ee5ed7c8-8
0.506
JOH-UNI-3fc3434e-8
0.506
NAU-LAT-a5c7d7cb-10
0.500
EDJ-MED-c8e7a002-11
0.500
EDG-MED-0da5ad92-15
0.493
EDJ-MED-50fe53e8-2
0.487
MAT-POS-f7918075-6
0.487
JOH-UNI-ee5ed7c8-11
0.482
JOH-UNI-3fc3434e-11
0.482
JIN-POS-6dc588a4-8
0.481
JIN-POS-6dc588a4-7
0.474
NAU-LAT-a5c7d7cb-11
0.468
EDJ-MED-c8e7a002-16
0.463
RUB-POS-1325a9ea-17
0.456
JAN-GHE-5a013bed-6
0.451
JAN-GHE-5a013bed-9
0.451
JIN-POS-6dc588a4-3
0.449
NAU-LAT-e1818702-7
0.446
JAG-UCB-a3ef7265-17
0.446
NAU-LAT-e1818702-10
0.444
MAT-POS-199e2e7c-2
0.444
JAN-GHE-5a013bed-7
0.444
ALP-POS-3b848b35-3
0.443
VLA-UNK-4cf5aa07-1
0.442
PET-UNK-158bee2a-1
0.442
MAT-POS-90fd5f68-19
0.440
PET-UNK-8df914d1-1
0.440
EDJ-MED-00c1612e-1
0.440
MAT-POS-bb423b95-7
0.439
JIN-POS-6dc588a4-23
0.439
JIN-POS-6dc588a4-2
0.438
DAR-DIA-6a49afbe-1
0.438
VLA-UNK-4cf5aa07-2
0.436
MAT-POS-90fd5f68-40
0.434
RUB-POS-1325a9ea-4
0.434
JAN-GHE-5a013bed-10
0.432
JIN-POS-6dc588a4-13
0.432
NAU-LAT-e1818702-8
0.432
NAU-LAT-e1818702-9
0.432
MAT-POS-90fd5f68-37
0.429
EDJ-MED-c8e7a002-9
0.427
JOH-UNI-6fede743-1
0.427
JIN-POS-6dc588a4-21
0.427
JIN-POS-6dc588a4-16
0.427
MAT-POS-f7918075-5
0.427
JIN-POS-6dc588a4-24
0.427
ALP-POS-95b75b4d-8
0.427
PET-UNK-158bee2a-3
0.427
EDG-MED-0da5ad92-16
0.427
SAM-UNK-2684b532-13
0.427
DAR-DIA-076fb6ea-1
0.425
PET-UNK-12d8d43f-2
0.425
MAT-POS-90fd5f68-39
0.425
VLA-UCB-05e51b3f-16
0.425
JOH-UNI-1b27fa5e-2
0.424
JOH-UNI-abfda500-5
0.423
ANN-UNI-98d2bf15-3
0.423
EDJ-MED-a364e151-1
0.422
MAT-POS-f7918075-3
0.422
MIC-UNK-08cd9c58-1
0.422
ALP-POS-95b75b4d-6
0.421
EDJ-MED-49816e9b-3
0.421
EDG-MED-0da5ad92-12
0.421
EDJ-MED-50fe53e8-3
0.420
EDJ-MED-c8e7a002-12
0.420
MAT-POS-bb423b95-1
0.420
MAT-POS-bb423b95-9
0.420
JAN-GHE-5a013bed-8
0.419
JAN-GHE-5a013bed-11
0.419
MIC-UNK-66895286-1
0.419
EDG-MED-0da5ad92-2
0.419
MAT-POS-90fd5f68-22
0.419
PET-UNK-5ecb6237-1
0.419
MAT-POS-90fd5f68-25
0.419
PET-UNK-d899bab6-1
0.419
NAU-LAT-e1818702-1
0.418
JAN-GHE-f4ca5a00-12
0.418
JIN-POS-6dc588a4-18
0.417
PET-UNK-8df914d1-3
0.416
TRY-UNI-714a760b-6
0.416
MAT-POS-e1b5ac6b-1
0.415
ALP-POS-0c2c77e1-1
0.415
MAT-POS-bb423b95-3
0.415
ROB-UNI-daaf9793-1
0.415
PET-UNK-b38839dc-2
0.414
MAT-POS-90fd5f68-29
0.414
MAT-POS-90fd5f68-20
0.414
VLA-UNK-411a133b-2
0.413
JIN-POS-6dc588a4-5
0.412
BEN-DND-1e24cf73-5
0.412
VLA-UCB-05e51b3f-15
0.412
PET-UNK-6c2be958-1
0.412
VLA-UCB-05e51b3f-17
0.412
EDJ-MED-c8e7a002-6
0.412
PET-UNK-12d8d43f-1
0.412