Molecular Properties | |
SMILES: | COc1ccc2n[nH]c(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 357.09 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 76.24 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-04 |
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-12
0.783
JAG-UCB-52b62a6f-4
0.718
JAG-UCB-52b62a6f-6
0.663
JAG-UCB-52b62a6f-9
0.629
MAT-POS-f9802937-7
0.585
JAG-UCB-52b62a6f-10
0.562
JAG-UCB-c61058a9-46
0.545
NAU-LAT-8502cac5-13
0.543
JAG-UCB-52b62a6f-5
0.537
JAG-UCB-52b62a6f-7
0.537
NAU-LAT-8502cac5-12
0.516
MAT-POS-51833a24-6
0.510
NAU-LAT-8502cac5-10
0.505
ALF-EVA-ced740bd-1
0.500
JAG-UCB-52b62a6f-19
0.495
ALF-EVA-ced740bd-2
0.495
JAG-UCB-52b62a6f-17
0.495
ROB-UNI-569bc02e-3
0.495
JOH-UNI-1b27fa5e-6
0.495
MAT-POS-b3e365b9-4
0.495
MAT-POS-b3e365b9-3
0.495
EDG-MED-fe7487f8-9
0.495
JAN-GHE-f4ca5a00-13
0.495
BRU-CON-c4e3408a-1
0.495
DAR-DIA-6a508060-6
0.495
RAL-THA-b74298ba-3
0.495
VLA-UCB-53bdeed6-2
0.495
PET-UNK-158bee2a-7
0.495
TET-ENA-1a76f195-1
0.490
JOH-UNI-f51e3bbc-2
0.490
MAT-POS-b5c94171-1
0.489
RAL-THA-3d7a794f-4
0.489
RAL-THA-b74298ba-1
0.489
BEN-DND-c852c98b-2
0.485
JAG-UCB-52b62a6f-14
0.485
RUB-POS-1325a9ea-10
0.485
JAG-UCB-52b62a6f-16
0.485
JAG-UCB-c61058a9-32
0.485
VLA-UNK-0ffe3317-7
0.484
VLA-UCB-53bdeed6-3
0.484
LON-WEI-0a73fcb8-6
0.484
PET-UNK-158bee2a-5
0.484
MAT-POS-a3f7f96a-2
0.484
JAG-UCB-c61058a9-6
0.484
EDJ-MED-97c1bf5c-5
0.481
JOH-UNI-f51e3bbc-4
0.480
BEN-DND-a7517465-6
0.480
JAG-UCB-52b62a6f-18
0.480
JOH-UNI-1b27fa5e-5
0.480
ROB-UNI-569bc02e-5
0.480
RAL-THA-3d7a794f-2
0.479
JAG-UCB-c61058a9-41
0.479
NAU-LAT-8502cac5-16
0.479
PET-UNK-b38839dc-5
0.476
PET-UNK-f4e47ebd-3
0.476
BEN-DND-c852c98b-6
0.476
PET-UNK-f4e47ebd-4
0.476
ALP-POS-e2fddb0f-1
0.475
ALP-POS-82da25a3-1
0.475
MIC-UNK-b904ca85-2
0.475
VLA-UNK-0ffe3317-1
0.474
MAT-POS-afb6844f-1
0.474
MAT-POS-7ddaf7de-4
0.474
TAT-ENA-0e28ea53-1
0.474
JAG-UCB-c61058a9-9
0.474
MAT-POS-8293a91a-1
0.474
BEN-DND-b89db3f2-2
0.473
NAU-LAT-b7d8c353-4
0.473
PET-UNK-b38839dc-4
0.471
EDJ-MED-97c1bf5c-3
0.471
ROB-UNI-569bc02e-4
0.471
VLA-UCB-05e51b3f-19
0.470
VLA-UCB-50c39ae8-12
0.470
JOH-UNI-1b27fa5e-2
0.470
JOH-UNI-1b27fa5e-1
0.470
EDJ-MED-fb4b7746-2
0.470
JOH-SUS-a69c159d-6
0.469
PET-UNK-b1ef24dc-7
0.469
MAK-UNK-f481d203-1
0.469
MAK-UNK-919546f0-1
0.469
MAK-UNK-f481d203-2
0.469
MAT-POS-1f3c8e6f-1
0.469
JAG-UCB-c61058a9-44
0.469
ERI-UCB-9c7ec71b-2
0.469
EDJ-MED-e9694d2b-1
0.469
JOH-UNI-16fcdf60-1
0.468
JAG-UCB-571deb56-5
0.467
MIC-UNK-deda7a44-7
0.465
PET-UNK-b38839dc-3
0.465
ADA-UCB-dc2b944c-12
0.465
JOH-SUS-a69c159d-1
0.465
MAT-POS-afb6844f-2
0.464
RAL-THA-3d7a794f-3
0.464
MAT-POS-500f4700-1
0.464
RAL-THA-b74298ba-2
0.464
JAG-UCB-c61058a9-2
0.464
JAG-UCB-a3ef7265-20
0.463
MAT-POS-968e8d9c-1
0.463
NAU-LAT-b7d8c353-7
0.463
JAG-UCB-119787ef-1
0.463