Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2n1CCCC2 |
| MW: | 289.1 |
| Fraction sp3: | 0.33 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.92 |
| cLogP: | 3.05 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 93.7832906298989 |
| Order Status | |
| Ordered: | 2021-06-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-07-15 |
PET-UNK-8df914d1-4
0.486
EDJ-MED-b24713dc-2
0.481
BEN-DND-1e24cf73-3
0.469
PET-UNK-8df914d1-5
0.468
PET-UNK-8df914d1-2
0.457
EDJ-MED-6e43a462-9
0.457
EDJ-MED-6e43a462-12
0.452
EDJ-MED-6e43a462-7
0.451
BEN-DND-1e24cf73-7
0.448
EDJ-MED-6e43a462-4
0.446
EDJ-MED-6e43a462-6
0.446
EDJ-MED-6e43a462-5
0.446
EDJ-MED-6e43a462-2
0.442
EDJ-MED-6e43a462-3
0.440
EDJ-MED-6e43a462-10
0.440
EDJ-MED-b24713dc-3
0.440
EDJ-MED-b24713dc-1
0.440
EDJ-MED-6e43a462-8
0.440
JAN-GHE-5a013bed-8
0.440
BEN-DND-1e24cf73-1
0.439
EDJ-MED-b24713dc-4
0.435
BEN-DND-1e24cf73-2
0.430
EDJ-MED-49816e9b-2
0.429
EDJ-MED-6e43a462-13
0.425
EDJ-MED-a364e151-1
0.424
EDJ-MED-49816e9b-3
0.423
EDJ-MED-50fe53e8-3
0.422
EDJ-MED-6e43a462-1
0.420
JAN-GHE-5a013bed-10
0.416
BEN-DND-1e24cf73-5
0.414
JAN-GHE-5a013bed-6
0.413
JAN-GHE-5a013bed-9
0.413
JUL-TUD-06b2044f-21
0.413
MAT-POS-199e2e7c-1
0.412
EDG-MED-0da5ad92-13
0.410
JAG-UCB-a3ef7265-15
0.410
NAU-LAT-e1818702-7
0.410
JAG-UCB-a3ef7265-17
0.410
EDG-MED-0da5ad92-17
0.407
ALP-POS-95b75b4d-6
0.405
JIN-POS-6dc588a4-9
0.405
MIC-UNK-66895286-1
0.403
PET-UNK-158bee2a-4
0.403
JAN-GHE-5a013bed-11
0.403
EDG-MED-0da5ad92-2
0.403
BEN-DND-1e24cf73-6
0.400
TRY-UNI-714a760b-6
0.400
MAT-POS-bb423b95-5
0.398
VLA-UNK-411a133b-2
0.397
BEN-DND-1e24cf73-4
0.396
EDJ-MED-c8e7a002-7
0.395
JIN-POS-6dc588a4-21
0.395
EDJ-MED-076d6e64-1
0.395
EDJ-MED-c8e7a002-8
0.395
EDG-MED-0da5ad92-18
0.395
ABI-SAT-4d06482b-2
0.395
PET-UNK-158bee2a-2
0.395
EDG-MED-0da5ad92-21
0.392
SAM-UNK-2684b532-13
0.392
ALP-POS-95b75b4d-8
0.392
PET-UNK-158bee2a-3
0.392
VLA-UNK-411a133b-1
0.392
EDG-MED-0da5ad92-16
0.392
RUB-POS-1325a9ea-8
0.391
JOH-UNI-abfda500-4
0.390
AGN-NEW-c7b24fe3-5
0.390
NAU-LAT-e1818702-10
0.390
JAN-GHE-5a013bed-7
0.390
MAT-POS-14ad9fe9-1
0.389
JIN-POS-6dc588a4-20
0.389
EDJ-MED-976da9a6-1
0.389
ALP-POS-95b75b4d-5
0.388
MAT-POS-bb423b95-4
0.388
EDG-MED-0da5ad92-14
0.388
EDJ-MED-49816e9b-5
0.388
EDG-MED-0da5ad92-12
0.388
NAU-LAT-e1818702-1
0.386
JAN-GHE-f4ca5a00-12
0.386
PET-UNK-7f7e354d-7
0.384
BEN-DND-02317c5c-9
0.384
JOH-UNI-6fede743-4
0.384
NAU-LAT-e1818702-9
0.384
EDJ-MED-50fe53e8-4
0.384
PET-UNK-8df914d1-3
0.383
EDG-MED-0da5ad92-15
0.383
JIN-POS-6dc588a4-3
0.381
EDJ-MED-c8e7a002-17
0.379
RUB-POS-1325a9ea-18
0.379
MIC-UNK-d935700b-2
0.379
ALP-POS-3b848b35-3
0.376
RUB-POS-1325a9ea-15
0.375
JOH-UNI-6fede743-2
0.375
EDJ-MED-976da9a6-2
0.374
ANN-UNI-98d2bf15-3
0.373
AGN-NEW-c7b24fe3-4
0.373
PET-UNK-158bee2a-1
0.373
VLA-UNK-4cf5aa07-1
0.373
TRY-UNI-714a760b-3
0.373
JOH-UNI-abfda500-5
0.373
JAN-GHE-5a013bed-5
0.373