Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H](C)OC(F)F |
MW: | 230.09 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 1.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-09-09 |
MAT-POS-590ac91e-16
MAT-POS-590ac91e-16
1.000
ERI-UCB-5b47150d-1
0.714
MAT-POS-590ac91e-2
0.714
MAT-POS-590ac91e-1
0.714
MAT-POS-590ac91e-13
0.611
AAR-POS-d2a4d1df-3
0.562
MAK-UNK-6435e6c2-8
0.562
ABI-SAT-4d06482b-1
0.533
AHN-SAT-202241f6-1
0.517
TRY-UNI-714a760b-17
0.517
MAT-POS-590ac91e-5
0.517
BEN-DND-6de5dfa0-10
0.492
TRY-UNI-714a760b-16
0.492
TRY-UNI-2eddb1ff-5
0.485
TRY-UNI-714a760b-18
0.485
JAN-GHE-83b26c96-4
0.485
JAN-GHE-83b26c96-5
0.485
TRY-UNI-2eddb1ff-4
0.485
BEN-DND-93268d01-14
0.484
MAK-UNK-6ca90168-27
0.481
TRY-UNI-2eddb1ff-3
0.477
BEN-DND-93268d01-3
0.476
MAT-POS-590ac91e-11
0.475
ASH-SAT-43770c7d-9
0.474
MAK-UNK-6ca90168-26
0.473
BEN-DND-93268d01-2
0.470
DAR-DIA-0cde14eb-72
0.465
JAN-GHE-83b26c96-9
0.456
MAT-POS-590ac91e-14
0.455
DAR-DIA-0cde14eb-70
0.451
ALE-HEI-f28a35b5-13
0.450
BAR-COM-0f94fc3d-19
0.449
DAR-DIA-0cde14eb-73
0.444
MAK-UNK-f203cb68-16
0.444
MAK-UNK-f203cb68-17
0.444
ALE-HEI-f28a35b5-7
0.444
TRY-UNI-714a760b-11
0.444
ALE-HEI-f28a35b5-1
0.443
TRY-UNI-714a760b-4
0.443
MAK-UNK-f203cb68-15
0.438
DAR-DIA-0cde14eb-71
0.438
TRY-UNI-714a760b-22
0.437
MAT-POS-1e5f28a7-1
0.437
EDG-MED-0da5ad92-5
0.435
ERI-UCB-5b47150d-4
0.433
DAR-DIA-0cde14eb-12
0.432
BAR-COM-0f94fc3d-58
0.431
PET-SGC-6e7c5dc0-1
0.429
ALE-HEI-f28a35b5-12
0.426
DAN-RED-da448e80-5
0.425
ALE-HEI-f28a35b5-11
0.424
MAT-POS-590ac91e-8
0.424
MAK-UNK-f203cb68-5
0.423
JAN-GHE-83b26c96-10
0.423
MAT-POS-590ac91e-7
0.422
ALE-HEI-f28a35b5-2
0.422
MAT-POS-590ac91e-9
0.422
ERI-UCB-5b47150d-6
0.422
DAR-DIA-0cde14eb-75
0.421
DAR-DIA-0cde14eb-10
0.419
MAK-UNK-f203cb68-14
0.419
MAK-UNK-902cc841-15
0.419
MAK-UNK-6ca90168-24
0.418
NAU-LAT-3f5f3993-2
0.418
MAK-UNK-f203cb68-7
0.418
DRE-WAB-eb790b7a-1
0.417
PED-UNI-8d53fd73-1
0.417
PED-UNI-5b7f1100-1
0.417
DAN-RED-da448e80-1
0.417
MAK-UNK-f203cb68-19
0.416
MIH-UNI-6b9ca91a-1
0.415
MAT-POS-590ac91e-22
0.415
GAB-REV-70cc3ca5-21
0.415
DAR-DIA-0cde14eb-13
0.413
DAR-DIA-0cde14eb-11
0.413
DAN-RED-da448e80-13
0.413
TRY-UNI-714a760b-5
0.413
SCO-VAN-260d9628-1
0.413
ALE-HEI-f28a35b5-17
0.413
JAN-GHE-83b26c96-11
0.413
TRY-UNI-2eddb1ff-8
0.412
ALP-POS-95b75b4d-1
0.412
DAN-RED-da448e80-17
0.411
MAK-UNK-f203cb68-8
0.410
MAK-UNK-f203cb68-6
0.410
MAT-POS-590ac91e-10
0.409
ALE-HEI-f28a35b5-10
0.409
DAR-DIA-0cde14eb-65
0.408
MAK-UNK-f203cb68-3
0.408
MAT-POS-590ac91e-6
0.406
MAT-POS-590ac91e-19
0.406
MAT-POS-590ac91e-18
0.406
SAM-UNK-2684b532-1
0.405
JAN-GHE-83b26c96-8
0.405
DAN-RED-da448e80-9
0.405
MAT-POS-590ac91e-3
0.403
JOH-UNI-abfda500-6
0.403
ANN-UNI-98d2bf15-1
0.403
EDJ-MED-3c65e9ce-1
0.403
TRY-UNI-714a760b-12
0.403