Molecular Properties | |
SMILES: | O=C1CC(NC(=O)C2CCOc3ccc(Cl)cc32)CN1 |
MW: | 294.08 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 67.43 |
cLogP: | 1.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-11-16 |
Synthesis Location: | enamine |
Shipped: | 2020-12-21 |
ALP-POS-8b8a49e1-1
1.000
ALP-POS-8b8a49e1-4
0.736
ALP-POS-8b8a49e1-3
0.676
MIC-UNK-fc94cdb5-2
0.671
MIC-UNK-42806bd5-4
0.622
MIC-UNK-4c7b8ba7-2
0.582
NAU-LAT-64bf4c5d-1
0.542
ALP-POS-8b8a49e1-2
0.542
MIC-UNK-13557a72-2
0.537
DAR-DIA-6a508060-7
0.524
JOH-UNI-f51e3bbc-1
0.517
EDJ-MED-ba7e64f2-2
0.517
BEN-DND-b89db3f2-2
0.512
NAU-LAT-b7d8c353-4
0.512
MAK-UNK-f481d203-2
0.506
EDG-MED-fe7487f8-8
0.506
ERI-UCB-9c7ec71b-2
0.506
EDJ-MED-e9694d2b-1
0.506
MAK-UNK-919546f0-1
0.506
LON-WEI-0a73fcb8-7
0.506
MAK-UNK-f481d203-1
0.506
DAR-DIA-6a508060-6
0.500
JAN-GHE-f4ca5a00-13
0.500
MAT-POS-b3e365b9-4
0.500
JAG-UCB-a3ef7265-20
0.500
MAT-POS-968e8d9c-1
0.500
JAG-UCB-119787ef-1
0.500
MAT-POS-b3e365b9-3
0.500
NAU-LAT-8502cac5-11
0.500
JAG-UCB-c61058a9-21
0.500
BRU-CON-c4e3408a-1
0.500
NAU-LAT-8502cac5-10
0.494
RAL-THA-3d7a794f-4
0.494
RAL-THA-b74298ba-1
0.494
ERI-UCB-9c7ec71b-4
0.488
VLA-UCB-53bdeed6-3
0.488
VLA-UNK-0ffe3317-2
0.488
JAN-GHE-f4ca5a00-23
0.488
MAT-POS-a3f7f96a-2
0.488
RAL-THA-3d7a794f-2
0.483
RAL-THA-b74298ba-2
0.483
NAU-LAT-8502cac5-15
0.482
NAU-LAT-8502cac5-16
0.482
EDG-MED-fe7487f8-9
0.482
VLA-UCB-53bdeed6-2
0.482
RAL-THA-b74298ba-3
0.482
NAU-LAT-b7d8c353-7
0.482
JAG-UCB-c61058a9-41
0.482
PET-UNK-158bee2a-7
0.482
JAG-UCB-52b62a6f-7
0.478
FRA-DIA-e29753f2-1
0.478
BEN-DND-b89db3f2-1
0.478
MAT-POS-14f31916-5
0.478
VLA-UCB-05e51b3f-18
0.478
NAU-LAT-b7d8c353-3
0.478
JAG-UCB-c61058a9-45
0.478
VLA-UCB-50c39ae8-11
0.478
JAG-UCB-52b62a6f-6
0.477
MAT-POS-afb6844f-1
0.477
JOH-UNI-1b27fa5e-7
0.477
JAG-UCB-c61058a9-7
0.477
JAG-UCB-c61058a9-22
0.477
MAT-POS-8293a91a-1
0.477
MAT-POS-b5c94171-1
0.477
MAT-POS-7ddaf7de-4
0.477
MIC-UNK-b12b7f76-1
0.477
EDJ-MED-fb4b7746-3
0.473
ROB-UNI-569bc02e-1
0.473
ADA-UCB-b1b30a00-7
0.473
EDG-MED-0e5afe9d-2
0.473
JAG-UCB-52b62a6f-16
0.473
RAL-THA-b74298ba-4
0.472
BEN-DND-4f474d93-1
0.472
BEN-DND-4f474d93-3
0.472
MAT-POS-afb6844f-4
0.472
PET-UNK-b1ef24dc-7
0.472
ERI-UCB-a38d41be-1
0.472
ALP-POS-ce760d3f-2
0.472
EDJ-MED-51d3200d-3
0.472
MAT-POS-a2421bb6-1
0.472
NAU-LAT-8502cac5-12
0.471
NAU-LAT-b7d8c353-1
0.471
MAT-POS-1f3c8e6f-1
0.471
LON-WEI-0a73fcb8-6
0.471
JAN-GHE-f4ca5a00-21
0.471
JAN-GHE-f4ca5a00-22
0.471
JOH-UNI-d0d90dc1-3
0.471
JAG-UCB-c61058a9-6
0.471
JOH-UNI-16fcdf60-1
0.471
JOH-SUS-a69c159d-5
0.467
BEN-DND-a7517465-7
0.467
EDJ-MED-51d3200d-1
0.467
EDJ-MED-ba7e64f2-3
0.467
JAG-UCB-52b62a6f-9
0.467
NAU-LAT-8502cac5-13
0.467
JOH-SUS-a69c159d-2
0.467
BEN-DND-4f474d93-2
0.467
BEN-DND-c852c98b-4
0.467
ALP-POS-ce760d3f-3
0.467
EDJ-MED-ba7e64f2-1
0.467