Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCc1cccc(F)c1 |
| MW: | 258.12 |
| Fraction sp3: | 0.2 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule Ultimate: | RBRNVPIASJICKN-UHFFFAOYSA-N |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 58.4540931399392 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-05-30 |
| Synthesis Location: | mcule |
| Shipped: | 2020-08-12 |
AAR-POS-d2a4d1df-1
ALP-POS-f13221e1-4
0.708
ALP-POS-95b75b4d-1
0.688
BEN-DND-93268d01-5
0.646
BEN-DND-93268d01-7
0.549
ANN-UNI-98d2bf15-2
0.542
BEN-DND-93268d01-4
0.521
MAT-POS-590ac91e-17
0.514
TRY-UNI-714a760b-5
0.507
TRY-UNI-714a760b-6
0.507
ALP-POS-95b75b4d-2
0.507
JAN-GHE-83b26c96-13
0.507
EDJ-MED-e58735b6-2
0.507
JAN-GHE-83b26c96-14
0.500
ALP-POS-95b75b4d-3
0.500
DAR-DIA-0cde14eb-76
0.500
JAN-GHE-83b26c96-12
0.500
ALE-HEI-f28a35b5-12
0.500
DAR-DIA-0cde14eb-2
0.494
DAR-DIA-0cde14eb-79
0.487
EDJ-MED-e58735b6-1
0.486
ANN-UNI-98d2bf15-5
0.481
ALP-POS-95b75b4d-4
0.481
DAR-DIA-0cde14eb-1
0.481
MAT-POS-590ac91e-10
0.479
ALE-HEI-f28a35b5-10
0.479
PET-SGC-6e7c5dc0-1
0.478
MAK-UNK-6ca90168-26
0.476
TRY-UNI-714a760b-20
0.474
DAR-DIA-0cde14eb-4
0.468
DAR-DIA-0cde14eb-77
0.468
DAR-DIA-0cde14eb-3
0.468
EDJ-MED-e58735b6-3
0.468
DAR-DIA-0cde14eb-78
0.468
JAN-GHE-83b26c96-11
0.464
PET-SGC-2e937068-1
0.462
PET-SGC-83d43576-1
0.457
ASH-SAT-43770c7d-9
0.455
TRY-UNI-2eddb1ff-2
0.452
EDG-MED-0da5ad92-8
0.452
DAR-DIA-0cde14eb-14
0.451
PET-SGC-d0fd10df-1
0.447
MIH-UNI-6b9ca91a-1
0.444
MAK-UNK-372b0df5-3
0.440
EDJ-MED-e58735b6-4
0.439
EDJ-MED-c9f55a56-1
0.438
MAT-POS-590ac91e-6
0.437
MAT-POS-590ac91e-11
0.435
GAB-REV-70cc3ca5-13
0.434
ANN-UNI-98d2bf15-1
0.432
JOH-UNI-abfda500-6
0.432
MAT-POS-590ac91e-9
0.431
GAB-REV-70cc3ca5-3
0.430
RAL-THA-6b94ceba-6
0.430
GAB-REV-70cc3ca5-22
0.430
SAD-SAT-7d5528d9-1
0.429
GAB-REV-70cc3ca5-18
0.427
BAR-COM-0f94fc3d-18
0.427
GAB-REV-70cc3ca5-20
0.427
BEN-DND-93268d01-13
0.427
AAR-POS-d2a4d1df-3
0.426
MAK-UNK-6435e6c2-8
0.426
ALE-HEI-f28a35b5-3
0.425
RAL-THA-901e9a10-7
0.424
BRU-LEF-c49414a7-1
0.424
TRY-UNI-2eddb1ff-1
0.423
RAL-THA-901e9a10-2
0.420
DAR-DIA-0cde14eb-62
0.420
DAR-DIA-0cde14eb-63
0.420
BEN-DND-93268d01-10
0.419
MAT-POS-590ac91e-24
0.419
EDG-MED-0da5ad92-7
0.417
GAB-REV-70cc3ca5-23
0.415
MAT-POS-590ac91e-15
0.413
JAG-UCB-cedd89ab-8
0.413
TRY-UNI-714a760b-12
0.413
MAT-POS-c9973a83-1
0.412
GAB-REV-70cc3ca5-12
0.412
MAT-POS-044491d2-6
0.411
MAT-POS-f42f3716-4
0.411
MAT-POS-590ac91e-7
0.411
WIL-MOD-03b86a88-5
0.410
RAL-THA-6b94ceba-16
0.410
GAB-REV-70cc3ca5-11
0.410
GAB-REV-70cc3ca5-19
0.410
DAR-DIA-0cde14eb-64
0.407
DAR-DIA-0cde14eb-61
0.407
DAR-DIA-0cde14eb-7
0.407
GAB-REV-70cc3ca5-21
0.405
BEN-DND-09b88bf4-5
0.405
BEN-DND-93268d01-9
0.405
ALE-HEI-f28a35b5-6
0.405
TRY-UNI-714a760b-10
0.405
BEN-DND-93268d01-11
0.405
MAT-POS-590ac91e-23
0.405
EDG-MED-0da5ad92-4
0.405
WIL-MOD-03b86a88-6
0.405
NAT-WAB-78d8bb1c-1
0.404
RAL-THA-6b94ceba-7
0.402
RAL-THA-6b94ceba-13
0.402
VLA-UCB-00f2c2b3-2
0.402