Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCCCC1 |
| MW: | 233.15 |
| Fraction sp3: | 0.54 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 45.23 |
| cLogP: | 1.81 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule Ultimate: | KNBSSRRKRQQGOO-UHFFFAOYSA-N |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-05-30 |
| Synthesis Location: | mcule |
| Shipped: | 2020-08-12 |
AAR-POS-d2a4d1df-1
BEN-DND-09b88bf4-5
0.745
BEN-DND-93268d01-9
0.745
BEN-DND-93268d01-10
0.702
BEN-DND-93268d01-8
0.690
EDJ-MED-3c65e9ce-1
0.690
EDJ-MED-3c65e9ce-4
0.678
BEN-DND-03406596-7
0.672
BEN-DND-6de5dfa0-1
0.672
BEN-DND-09b88bf4-2
0.672
BEN-DND-6de5dfa0-6
0.667
BEN-DND-6de5dfa0-3
0.656
NAU-LAT-3f5f3993-5
0.656
BEN-DND-09b88bf4-3
0.656
NIR-THE-b7e8e081-1
0.645
NIR-THE-b7e8e081-2
0.635
BEN-DND-09b88bf4-6
0.635
BEN-DND-6de5dfa0-16
0.635
BEN-DND-6de5dfa0-7
0.635
BEN-DND-6de5dfa0-14
0.625
BEN-DND-6de5dfa0-15
0.615
BEN-DND-09b88bf4-8
0.615
BEN-DND-6de5dfa0-5
0.603
BEN-DND-6de5dfa0-4
0.594
BEN-DND-22e6b372-3
0.594
BEN-DND-09b88bf4-4
0.594
BEN-DND-22e6b372-4
0.587
BEN-DND-6de5dfa0-2
0.580
BEN-DND-09b88bf4-1
0.580
ANU-UNK-2781581f-1
0.563
RED-SAT-26a928c9-1
0.563
MAK-UNK-6ca90168-26
0.545
BEN-DND-6de5dfa0-9
0.543
BEN-DND-6de5dfa0-8
0.535
BEN-DND-09b88bf4-7
0.533
BEN-DND-22e6b372-2
0.529
TRY-UNI-714a760b-10
0.524
ALE-HEI-f28a35b5-6
0.524
EDG-MED-0da5ad92-4
0.524
ASH-SAT-43770c7d-9
0.517
ALE-HEI-f28a35b5-12
0.517
BEN-DND-22e6b372-1
0.514
JAN-GHE-83b26c96-11
0.500
BEN-DND-93268d01-12
0.493
BEN-DND-6de5dfa0-13
0.493
MAT-POS-590ac91e-6
0.492
MAT-POS-590ac91e-11
0.492
MAK-UNK-6435e6c2-8
0.491
AAR-POS-d2a4d1df-3
0.491
MAT-POS-590ac91e-15
0.485
ERI-UCB-5b47150d-6
0.484
MAT-POS-590ac91e-7
0.484
MAT-POS-590ac91e-9
0.484
MAT-POS-590ac91e-23
0.477
TRY-UNI-714a760b-5
0.476
MAT-POS-590ac91e-10
0.470
MAT-POS-590ac91e-24
0.470
PET-SGC-6e7c5dc0-1
0.469
DAR-DIA-0cde14eb-16
0.468
EDG-MED-0da5ad92-9
0.464
BAR-COM-0f94fc3d-41
0.459
MAT-POS-590ac91e-25
0.457
ALP-POS-95b75b4d-2
0.456
MIH-UNI-6b9ca91a-1
0.455
GAB-REV-70cc3ca5-21
0.455
ALE-HEI-f28a35b5-3
0.455
BAR-COM-0f94fc3d-18
0.453
SCO-VAN-260d9628-1
0.453
ALE-HEI-f28a35b5-17
0.453
DAR-DIA-0cde14eb-17
0.451
DAR-DIA-0cde14eb-18
0.451
DAR-DIA-0cde14eb-19
0.451
MAK-UNK-372b0df5-3
0.449
BEN-DND-93268d01-4
0.449
JAN-GHE-83b26c96-12
0.449
MAK-UNK-6ca90168-27
0.448
EDJ-MED-c9f55a56-1
0.448
ALE-HEI-f28a35b5-10
0.448
DAR-DIA-0cde14eb-62
0.446
DAR-DIA-0cde14eb-63
0.446
JOH-UNI-abfda500-6
0.441
ANN-UNI-98d2bf15-1
0.441
MAT-POS-590ac91e-17
0.441
EDG-MED-0da5ad92-8
0.441
TRY-UNI-2eddb1ff-2
0.441
TRY-UNI-714a760b-11
0.439
MAT-POS-590ac91e-5
0.439
ALE-HEI-f28a35b5-7
0.439
MAK-UNK-7264f48c-3
0.438
SAD-SAT-7d5528d9-1
0.436
DAR-DIA-0cde14eb-29
0.435
TRY-UNI-714a760b-6
0.435
EDJ-MED-e58735b6-2
0.435
BEN-DND-93268d01-5
0.435
JAN-GHE-83b26c96-13
0.435
BEN-DND-93268d01-13
0.435
BEN-DND-6de5dfa0-19
0.435
GAB-REV-70cc3ca5-20
0.435
WAR-XCH-e55cba98-11
0.434
DAR-DIA-6a508060-12
0.433
DAR-DIA-0cde14eb-61
0.432