Molecular Properties | |
SMILES: | O=C(Nc1cc[nH]c(=O)c1)C1CCOc2ccc(Cl)cc21 |
MW: | 304.06 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.19 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-11-16 |
Synthesis Location: | enamine |
Shipped: | 2020-12-09 |
BEN-DND-b89db3f2-2
1.000
NAU-LAT-b7d8c353-7
0.620
NAU-LAT-b7d8c353-1
0.548
NAU-LAT-8502cac5-10
0.537
MIC-UNK-fc94cdb5-2
0.531
MAK-UNK-f481d203-1
0.529
MAK-UNK-f481d203-2
0.529
MAK-UNK-919546f0-1
0.529
MIC-UNK-42806bd5-4
0.525
PET-UNK-158bee2a-7
0.524
MAT-POS-968e8d9c-1
0.524
MAT-POS-b3e365b9-3
0.524
MAT-POS-b3e365b9-4
0.524
NAU-LAT-8502cac5-11
0.524
BRU-CON-c4e3408a-1
0.524
DAR-DIA-6a508060-6
0.524
JAN-GHE-f4ca5a00-13
0.524
VLA-UCB-53bdeed6-2
0.524
JAG-UCB-a3ef7265-20
0.524
JAG-UCB-119787ef-1
0.524
EDJ-MED-ba7e64f2-2
0.523
JOH-UNI-f51e3bbc-1
0.523
EDJ-MED-ba7e64f2-3
0.522
RAL-THA-b74298ba-1
0.518
RAL-THA-3d7a794f-4
0.518
JAG-UCB-c61058a9-45
0.517
NAU-LAT-b7d8c353-3
0.517
ADA-UCB-b1b30a00-6
0.517
VLA-UCB-05e51b3f-18
0.517
FRA-DIA-e29753f2-1
0.517
VLA-UCB-50c39ae8-11
0.517
BEN-DND-b89db3f2-1
0.517
ALP-POS-8b8a49e1-3
0.512
MIC-UNK-42806bd5-3
0.512
ALP-POS-8b8a49e1-1
0.512
JAG-UCB-c61058a9-6
0.512
JOH-UNI-16fcdf60-1
0.512
MAT-POS-a3f7f96a-2
0.512
NAU-LAT-8502cac5-12
0.512
LON-WEI-0a73fcb8-6
0.512
LON-WEI-0a73fcb8-7
0.512
EDG-MED-fe7487f8-8
0.512
JAG-UCB-c61058a9-44
0.512
ERI-UCB-9c7ec71b-2
0.512
VLA-UCB-53bdeed6-3
0.512
ERI-UCB-9c7ec71b-4
0.512
MAT-POS-1f3c8e6f-1
0.512
EDJ-MED-e9694d2b-1
0.512
ROB-UNI-569bc02e-6
0.511
NAU-LAT-8502cac5-15
0.506
NAU-LAT-8502cac5-16
0.506
RAL-THA-b74298ba-3
0.506
EDG-MED-fe7487f8-9
0.506
JAG-UCB-c61058a9-41
0.506
JAG-UCB-c61058a9-21
0.506
RAL-THA-3d7a794f-2
0.506
MAT-POS-afb6844f-2
0.506
ROB-UNI-569bc02e-3
0.506
JAG-UCB-52b62a6f-17
0.506
ADA-UCB-b1b30a00-8
0.505
TAT-ENA-0e28ea53-1
0.500
JAG-UCB-52b62a6f-5
0.500
NAU-LAT-b7d8c353-5
0.500
JAG-UCB-c61058a9-7
0.500
JAG-UCB-c61058a9-9
0.500
MAT-POS-8293a91a-1
0.500
MAT-POS-a2421bb6-4
0.500
MAT-POS-7ddaf7de-4
0.500
MAT-POS-afb6844f-1
0.500
PET-UNK-3e029fdc-1
0.500
JAG-UCB-52b62a6f-6
0.500
JAG-UCB-52b62a6f-7
0.500
MAT-POS-b5c94171-1
0.500
RAL-THA-3d7a794f-1
0.500
JAG-UCB-c61058a9-22
0.500
JOH-UNI-1b27fa5e-7
0.500
VLA-UCB-05e51b3f-19
0.495
VLA-UCB-05e51b3f-20
0.495
VLA-UCB-50c39ae8-13
0.495
JAG-UCB-52b62a6f-16
0.495
ROB-UNI-569bc02e-1
0.495
ADA-UCB-b1b30a00-7
0.495
EDG-MED-0e5afe9d-2
0.495
EDJ-MED-fb4b7746-2
0.495
EDJ-MED-fb4b7746-3
0.495
VLA-UCB-50c39ae8-12
0.495
ERI-UCB-a38d41be-1
0.494
BEN-DND-4f474d93-1
0.494
BEN-DND-4f474d93-3
0.494
PET-UNK-b1ef24dc-8
0.494
ALP-POS-ce760d3f-2
0.494
VLA-UNK-0ffe3317-7
0.494
PET-UNK-158bee2a-5
0.494
JOH-UNI-d0d90dc1-3
0.494
ALP-POS-8b8a49e1-4
0.494
MIC-UNK-4c7b8ba7-2
0.494
BEN-DND-a7517465-7
0.489
JAG-UCB-52b62a6f-9
0.489
RAL-THA-9041a04d-5
0.489
NAU-LAT-8502cac5-13
0.489