Molecular Properties | |
SMILES: | Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)C3CCOc4ccc(Cl)cc43)c12 |
MW: | 410.08 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.9 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 25.9776427916361 |
IC50 (µM) - RapidFire: | 98.0886186125777 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-04 |
high halogen content (>3)
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-5
0.568
NAU-LAT-8502cac5-12
0.532
JAG-UCB-52b62a6f-9
0.526
PET-UNK-158bee2a-7
0.511
RAL-THA-b74298ba-1
0.505
MAT-POS-8293a91a-1
0.505
JAG-UCB-52b62a6f-6
0.505
JAG-UCB-52b62a6f-4
0.505
MAT-POS-a3f7f96a-2
0.500
MAT-POS-1f3c8e6f-1
0.500
JAG-UCB-52b62a6f-14
0.500
BEN-DND-a7517465-1
0.495
JAG-UCB-52b62a6f-12
0.495
JAG-UCB-52b62a6f-8
0.495
NAU-LAT-8502cac5-13
0.495
RAL-THA-b74298ba-2
0.495
MAT-POS-500f4700-1
0.495
ROB-UNI-569bc02e-3
0.495
DAR-DIA-6a508060-6
0.495
JAN-GHE-f4ca5a00-13
0.495
MAT-POS-b3e365b9-4
0.495
BRU-CON-c4e3408a-1
0.495
MAT-POS-b3e365b9-3
0.495
NAU-LAT-8502cac5-16
0.495
ALP-POS-6495d03e-6
0.490
JAG-UCB-52b62a6f-7
0.490
TAT-ENA-0e28ea53-1
0.490
MAT-POS-b5c94171-1
0.490
RAL-THA-3d7a794f-4
0.489
JAG-UCB-c61058a9-44
0.485
LON-WEI-0a73fcb8-6
0.485
JAG-UCB-52b62a6f-18
0.480
ROB-UNI-569bc02e-5
0.480
JAG-UCB-52b62a6f-17
0.480
RAL-THA-3d7a794f-2
0.480
EDG-MED-fe7487f8-9
0.479
VLA-UCB-53bdeed6-2
0.479
RAL-THA-b74298ba-3
0.479
JAG-UCB-52b62a6f-11
0.476
MAT-POS-8293a91a-3
0.476
MAT-POS-51833a24-4
0.476
JAG-UCB-52b62a6f-15
0.476
MIC-UNK-deda7a44-6
0.475
MAT-POS-7ddaf7de-4
0.474
MAT-POS-afb6844f-1
0.474
BEN-DND-b89db3f2-2
0.474
NAU-LAT-b7d8c353-4
0.474
NAU-LAT-8502cac5-10
0.474
ROB-UNI-569bc02e-4
0.471
VLA-UCB-50c39ae8-12
0.471
VLA-UCB-05e51b3f-19
0.471
JAG-UCB-52b62a6f-13
0.471
JOH-SUS-a69c159d-4
0.471
JAG-UCB-52b62a6f-16
0.471
MAT-POS-afb6844f-3
0.470
MIC-UNK-7574fcc6-2
0.470
VLA-UCB-53bdeed6-3
0.469
JOH-UNI-d0d90dc1-3
0.469
PET-UNK-e274cad4-2
0.466
JOH-UNI-1b27fa5e-5
0.465
PET-UNK-b38839dc-3
0.465
JAG-UCB-c61058a9-2
0.465
RAL-THA-3d7a794f-3
0.465
MAT-POS-afb6844f-2
0.465
JOH-UNI-1b27fa5e-6
0.465
JAG-UCB-c61058a9-21
0.464
JAG-UCB-c61058a9-41
0.464
JAG-UCB-119787ef-1
0.464
JAG-UCB-a3ef7265-20
0.464
EDJ-MED-c8e7a002-5
0.464
MAT-POS-968e8d9c-1
0.464
NAU-LAT-8502cac5-11
0.464
NAU-LAT-8502cac5-15
0.464
BEN-DND-c852c98b-5
0.462
ERI-UCB-8d4e5055-4
0.462
ADA-UCB-b1b30a00-6
0.461
BEN-DND-a7517465-5
0.461
MAT-POS-51833a24-3
0.461
MAT-POS-a2421bb6-4
0.460
JOH-UNI-1b27fa5e-7
0.459
MAT-POS-7ddaf7de-2
0.457
ERI-UCB-8d4e5055-3
0.457
ALF-EVA-5b152d2f-2
0.456
VLA-UCB-50c39ae8-13
0.456
VLA-UCB-05e51b3f-20
0.456
EDJ-MED-fb4b7746-3
0.456
ROB-UNI-569bc02e-7
0.456
EDG-MED-0e5afe9d-2
0.456
JOH-SUS-a69c159d-6
0.455
ROB-UNI-569bc02e-6
0.455
EDG-MED-fe7487f8-8
0.455
ERI-UCB-9c7ec71b-2
0.455
EDJ-MED-e9694d2b-1
0.455
ERI-UCB-9c7ec71b-4
0.455
NAU-LAT-b7d8c353-1
0.455
MAK-UNK-919546f0-1
0.455
MAK-UNK-f481d203-1
0.455
MAK-UNK-f481d203-2
0.455
LON-WEI-0a73fcb8-7
0.455
JAG-UCB-c61058a9-6
0.454