Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1CC(=O)Nc1cccc2c1CNCC2 |
| MW: | 281.15 |
| Fraction sp3: | 0.29 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.02 |
| cLogP: | 2.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z2595889736 |
| MolPort: | MolPort-047-557-191 |
| Activity Data | |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-06-20 |
| Synthesis Location: | enamine |
| Shipped: | 2020-07-14 |
ADA-UCB-6c2cb422-4
0.588
NAU-LAT-3f5f3993-9
0.489
EDJ-MED-49816e9b-1
0.438
NAU-LAT-3f5f3993-8
0.429
NAU-LAT-3f5f3993-6
0.412
NAU-LAT-3f5f3993-7
0.412
TRY-UNI-bbd40bb4-2
0.381
JAN-GHE-83b26c96-12
0.365
BEN-DND-6de5dfa0-4
0.356
BEN-DND-09b88bf4-4
0.356
MIC-UNK-ea979c74-1
0.356
ALP-POS-95b75b4d-4
0.356
ALP-POS-95b75b4d-1
0.349
JOH-UNI-abfda500-6
0.341
ANN-UNI-98d2bf15-1
0.341
EDJ-MED-e58735b6-1
0.341
ANN-UNI-98d2bf15-5
0.341
DAR-DIA-0cde14eb-1
0.341
JAN-GHE-83b26c96-13
0.337
TRY-UNI-714a760b-6
0.337
ALP-POS-95b75b4d-2
0.337
EDJ-MED-e58735b6-2
0.337
ANN-UNI-98d2bf15-2
0.337
WIL-MOD-03b86a88-2
0.337
TRY-UNI-714a760b-20
0.333
BAR-COM-0f94fc3d-11
0.330
EDJ-MED-e58735b6-3
0.330
EDJ-MED-c9f55a56-1
0.329
TRY-UNI-714a760b-5
0.329
JAN-GHE-83b26c96-11
0.329
DAR-DIA-0cde14eb-14
0.323
THO-SYG-cc9e9a11-1
0.323
DAR-DIA-0cde14eb-2
0.323
TRY-UNI-2eddb1ff-1
0.322
JAN-GHE-83b26c96-14
0.322
ALP-POS-95b75b4d-3
0.322
DAR-DIA-0cde14eb-76
0.322
RAL-THA-901e9a10-5
0.320
DAR-DIA-0cde14eb-3
0.319
DAR-DIA-0cde14eb-4
0.319
THO-SYG-cc9e9a11-2
0.319
RAL-THA-6b94ceba-5
0.319
BEN-DND-93268d01-9
0.318
ALE-HEI-f28a35b5-3
0.318
BEN-DND-09b88bf4-5
0.318
ASH-SAT-43770c7d-9
0.316
RAL-THA-901e9a10-7
0.316
BRU-LEF-c49414a7-1
0.316
PET-SGC-175e168c-1
0.316
TRY-UNI-1fd04853-1
0.316
RAL-THA-6b94ceba-6
0.315
DAR-DIA-0cde14eb-78
0.315
DAR-DIA-0cde14eb-79
0.315
MAT-POS-c9973a83-1
0.315
EDG-MED-0da5ad92-9
0.315
BEN-DND-6de5dfa0-5
0.315
THO-SYG-cc9e9a11-3
0.314
RAL-THA-6b94ceba-8
0.312
EDJ-MED-e58735b6-4
0.312
DAR-DIA-0cde14eb-64
0.312
MAK-UNK-6ca90168-26
0.312
TRY-UNI-2eddb1ff-2
0.310
EDG-MED-0da5ad92-8
0.310
RAL-THA-901e9a10-1
0.310
MAT-POS-590ac91e-6
0.310
NAU-LAT-30527ac5-2
0.309
RAL-THA-6b94ceba-7
0.309
DAR-DIA-0cde14eb-63
0.309
RAL-THA-6b94ceba-13
0.309
GAB-REV-70cc3ca5-9
0.309
RAM-SYN-2a37ce6c-3
0.308
TRY-UNI-2eddb1ff-6
0.308
RAL-THA-901e9a10-3
0.308
RAL-THA-901e9a10-6
0.307
EDJ-MED-3c65e9ce-4
0.307
GAB-REV-70cc3ca5-20
0.307
BEN-DND-6de5dfa0-13
0.306
BEN-DND-93268d01-12
0.306
BAR-COM-0f94fc3d-28
0.306
SAD-SAT-7d5528d9-1
0.306
MAT-POS-e501d84c-1
0.306
MAT-POS-590ac91e-7
0.306
MAT-POS-590ac91e-9
0.306
DAR-DIA-0cde14eb-77
0.305
ALE-HEI-f28a35b5-12
0.305
MAT-POS-f42f3716-3
0.305
BEN-DND-93268d01-6
0.304
RAL-THA-901e9a10-2
0.304
THO-SYG-cc9e9a11-4
0.304
BEN-DND-22e6b372-4
0.303
SAM-UNK-2684b532-9
0.303
MIH-UNI-6b9ca91a-1
0.302
BEN-DND-93268d01-11
0.302
WIL-MOD-03b86a88-5
0.302
GAB-REV-70cc3ca5-19
0.302
RAL-THA-6b94ceba-12
0.302
RAL-THA-6b94ceba-14
0.302
RAL-THA-6b94ceba-16
0.302
MAK-UNK-f203cb68-4
0.301
BAR-COM-0f94fc3d-48
0.301