Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCC(C)CC1 |
| MW: | 247.17 |
| Fraction sp3: | 0.57 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 45.23 |
| cLogP: | 2.06 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 49.1501397208653 |
| Order Status | |
| Ordered: | 2020-12-14 |
| Synthesis Location: | enamine |
| Shipped: | 2021-01-14 |
BEN-DND-6de5dfa0-14
0.698
BEN-DND-6de5dfa0-15
0.688
BEN-DND-09b88bf4-5
0.678
BEN-DND-93268d01-9
0.678
BEN-DND-93268d01-11
0.678
BEN-DND-93268d01-10
0.667
BEN-DND-93268d01-8
0.656
EDJ-MED-3c65e9ce-1
0.656
NAU-LAT-3f5f3993-5
0.625
BEN-DND-6de5dfa0-3
0.625
BEN-DND-09b88bf4-3
0.625
NIR-THE-b7e8e081-1
0.615
BEN-DND-09b88bf4-2
0.615
BEN-DND-6de5dfa0-1
0.615
BEN-DND-03406596-7
0.615
NIR-THE-b7e8e081-2
0.606
BEN-DND-09b88bf4-6
0.606
BEN-DND-6de5dfa0-16
0.606
BEN-DND-6de5dfa0-7
0.606
BEN-DND-6de5dfa0-5
0.600
BEN-DND-6de5dfa0-4
0.591
BEN-DND-09b88bf4-4
0.591
BEN-DND-09b88bf4-8
0.588
BEN-DND-6de5dfa0-6
0.588
BEN-DND-6de5dfa0-9
0.563
BEN-DND-09b88bf4-1
0.556
BEN-DND-6de5dfa0-2
0.556
RED-SAT-26a928c9-1
0.541
ANU-UNK-2781581f-1
0.541
BEN-DND-22e6b372-4
0.537
BEN-DND-6de5dfa0-8
0.534
BEN-DND-22e6b372-3
0.522
MAK-UNK-6ca90168-26
0.517
BEN-DND-09b88bf4-7
0.513
MAT-POS-590ac91e-7
0.508
BEN-DND-22e6b372-2
0.507
EDG-MED-0da5ad92-4
0.500
TRY-UNI-714a760b-10
0.500
ALE-HEI-f28a35b5-6
0.500
BEN-DND-22e6b372-1
0.493
MAT-POS-590ac91e-10
0.493
ALE-HEI-f28a35b5-12
0.492
ASH-SAT-43770c7d-9
0.492
MAT-POS-590ac91e-23
0.478
JAN-GHE-83b26c96-11
0.477
MAT-POS-590ac91e-24
0.471
MAT-POS-590ac91e-6
0.470
MAT-POS-590ac91e-11
0.469
SAM-UNK-2684b532-9
0.468
EDG-MED-0da5ad92-9
0.465
AAR-POS-d2a4d1df-3
0.464
MAK-UNK-6435e6c2-8
0.464
MAT-POS-590ac91e-5
0.463
MAT-POS-590ac91e-9
0.463
MAT-POS-590ac91e-25
0.458
DOU-UNK-b5326f8f-18
0.458
BEN-DND-6de5dfa0-13
0.456
BEN-DND-93268d01-12
0.456
TRY-UNI-714a760b-5
0.455
MAK-UNK-372b0df5-3
0.451
ALP-POS-90c18d1d-1
0.450
MAK-UNK-6ca90168-27
0.450
PET-SGC-6e7c5dc0-1
0.448
EDJ-MED-3c65e9ce-2
0.446
MAT-POS-590ac91e-15
0.443
BAR-COM-0f94fc3d-41
0.442
TRY-UNI-714a760b-11
0.441
ALE-HEI-f28a35b5-7
0.441
BEN-DND-93268d01-5
0.437
ALP-POS-95b75b4d-2
0.437
NAU-LAT-3f5f3993-2
0.437
BAR-COM-0f94fc3d-18
0.436
MIH-UNI-6b9ca91a-1
0.435
GAB-REV-70cc3ca5-21
0.435
ALE-HEI-f28a35b5-3
0.435
ALP-POS-95b75b4d-4
0.434
SCO-VAN-260d9628-1
0.433
ALE-HEI-f28a35b5-17
0.433
JAN-GHE-83b26c96-12
0.431
MAT-POS-590ac91e-4
0.429
DAR-DIA-0cde14eb-63
0.429
PET-SGC-a8a902d9-1
0.429
ALE-HEI-f28a35b5-10
0.429
EDJ-MED-c9f55a56-1
0.429
MAT-POS-590ac91e-18
0.426
MAT-POS-590ac91e-19
0.426
TRY-UNI-9f475305-1
0.425
SAM-UNK-2684b532-8
0.425
ANN-UNI-98d2bf15-1
0.423
EDG-MED-0da5ad92-8
0.423
MAT-POS-590ac91e-21
0.423
TRY-UNI-2eddb1ff-2
0.423
MAT-POS-590ac91e-3
0.423
MAT-POS-590ac91e-17
0.423
JOH-UNI-abfda500-6
0.423
ASH-UNK-40b46b30-8
0.422
ERI-UCB-5b47150d-6
0.420
SAD-SAT-7d5528d9-1
0.420
SIM-DEM-2d7ee9fd-1
0.420
BEN-DND-6de5dfa0-21
0.419