Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCc1ccn[nH]1 |
| MW: | 230.12 |
| Fraction sp3: | 0.25 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 70.67 |
| cLogP: | 1.68 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z3471767752 |
| Enamine Extended REAL: | s_22____3391102____13968894 |
| Mcule: | MCULE-3280836567 |
| Activity Data | |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-30 |
AAR-POS-d2a4d1df-1
BEN-DND-93268d01-5
0.578
BEN-DND-93268d01-4
0.569
ALE-HEI-f28a35b5-12
0.550
BEN-DND-93268d01-7
0.529
MAK-UNK-6ca90168-26
0.526
ASH-SAT-43770c7d-9
0.525
PET-SGC-6e7c5dc0-1
0.524
EDJ-MED-c9f55a56-1
0.523
ALP-POS-f13221e1-4
0.522
BEN-DND-93268d01-6
0.514
MAT-POS-590ac91e-10
0.500
ALE-HEI-f28a35b5-10
0.500
RAL-THA-6b94ceba-4
0.494
PET-SGC-83d43576-1
0.493
MIH-UNI-6b9ca91a-1
0.485
JAN-GHE-83b26c96-11
0.484
TRY-UNI-714a760b-5
0.484
MAK-UNK-372b0df5-3
0.478
MAT-POS-590ac91e-6
0.477
MAT-POS-590ac91e-11
0.476
AAR-POS-d2a4d1df-3
0.473
MAK-UNK-6435e6c2-8
0.473
MAT-POS-590ac91e-9
0.470
ALP-POS-95b75b4d-2
0.464
BEN-DND-93268d01-13
0.464
BEN-DND-09b88bf4-5
0.463
BEN-DND-93268d01-9
0.463
MAT-POS-590ac91e-23
0.463
ALE-HEI-f28a35b5-3
0.463
PET-SGC-d0fd10df-1
0.463
GAB-REV-70cc3ca5-12
0.462
PET-SGC-2e937068-1
0.459
MAT-POS-590ac91e-24
0.456
DAR-DIA-0cde14eb-2
0.453
VLA-UCB-00f2c2b3-2
0.453
BEN-DND-6de5dfa0-5
0.451
MAT-POS-590ac91e-15
0.449
EDG-MED-0da5ad92-8
0.449
EDJ-MED-3c65e9ce-1
0.449
TRY-UNI-2eddb1ff-2
0.449
BEN-DND-93268d01-8
0.449
JOH-UNI-abfda500-6
0.449
ANN-UNI-98d2bf15-1
0.449
MAT-POS-590ac91e-7
0.448
GAB-REV-70cc3ca5-3
0.446
GAB-REV-70cc3ca5-22
0.444
EDJ-MED-e58735b6-1
0.444
JAN-GHE-83b26c96-13
0.443
GAB-REV-70cc3ca5-20
0.443
TRY-UNI-714a760b-6
0.443
EDJ-MED-e58735b6-2
0.443
BEN-DND-93268d01-11
0.441
GAB-REV-70cc3ca5-21
0.441
TRY-UNI-714a760b-10
0.441
ALE-HEI-f28a35b5-6
0.441
EDG-MED-0da5ad92-4
0.441
DAR-DIA-0cde14eb-1
0.440
ANN-UNI-98d2bf15-2
0.438
BEN-DND-6de5dfa0-7
0.438
BEN-DND-09b88bf4-6
0.438
ALP-POS-95b75b4d-1
0.437
JAN-GHE-83b26c96-12
0.437
BEN-DND-22e6b372-4
0.437
EDJ-MED-e58735b6-4
0.436
BEN-DND-93268d01-10
0.435
MAK-UNK-6ca90168-27
0.433
BEN-DND-09b88bf4-3
0.431
GAB-REV-70cc3ca5-13
0.431
BEN-DND-6de5dfa0-3
0.431
NAU-LAT-3f5f3993-5
0.431
EDG-MED-0da5ad92-9
0.431
DAR-DIA-0cde14eb-14
0.430
DAR-DIA-0cde14eb-3
0.429
DAR-DIA-0cde14eb-4
0.429
MAK-UNK-372b0df5-2
0.429
MAT-POS-590ac91e-25
0.425
BEN-DND-09b88bf4-4
0.425
BEN-DND-22e6b372-3
0.425
NIR-THE-b7e8e081-1
0.425
BEN-DND-03406596-7
0.425
BEN-DND-6de5dfa0-4
0.425
BEN-DND-6de5dfa0-1
0.425
BEN-DND-09b88bf4-2
0.425
WAR-XCH-e55cba98-11
0.423
EDJ-MED-3c65e9ce-4
0.423
GAB-REV-70cc3ca5-1
0.422
DAR-DIA-0cde14eb-61
0.421
DAR-DIA-0cde14eb-64
0.421
ALP-POS-95b75b4d-4
0.421
TRY-UNI-2eddb1ff-1
0.419
DAR-DIA-0cde14eb-76
0.419
JAN-GHE-83b26c96-14
0.419
ALP-POS-95b75b4d-3
0.419
BEN-DND-6de5dfa0-16
0.419
NIR-THE-b7e8e081-2
0.419
DAR-DIA-0cde14eb-62
0.416
DAR-DIA-0cde14eb-63
0.416
GAB-REV-70cc3ca5-9
0.416
BEN-DND-22e6b372-2
0.413
TRY-UNI-714a760b-20
0.413