Molecular Properties | |
SMILES: | CCS(=O)(=O)N1CCN(c2cc(Cl)cc(CC(=O)Nc3cncc4ccccc34)c2)CC1 |
MW: | 472.13 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 82.61 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.51049133858185 |
Order Status | |
Ordered: | 2021-02-01 |
Synthesis Location: | enamine |
Shipped: | 2021-03-17 |
Hetero_hetero
LON-WEI-9739a092-6
0.677
MAT-POS-fce787c2-2
0.617
PET-UNK-bb7ffe78-1
0.605
RAL-THA-2d450e86-14
0.593
RAL-THA-2d450e86-15
0.593
PET-UNK-bb7ffe78-3
0.584
RAL-THA-1d44ff04-10
0.578
RAL-THA-1d44ff04-9
0.576
RAL-THA-1d44ff04-11
0.576
MAT-POS-3b92565d-2
0.573
RAL-THA-2d450e86-18
0.573
ALP-POS-3b848b35-1
0.573
RAL-THA-2d450e86-17
0.567
MAT-POS-cc05818f-1
0.567
RAL-THA-1d44ff04-13
0.560
PET-UNK-8c422e11-2
0.559
RAL-THA-1d44ff04-4
0.556
RAL-THA-1d44ff04-5
0.554
PET-UNK-8c422e11-1
0.554
RAL-THA-1d44ff04-3
0.554
MIC-UNK-16ccb665-3
0.549
MIC-UNK-16ccb665-2
0.548
MIC-UNK-16ccb665-1
0.548
PET-UNK-8c422e11-3
0.548
DAR-DIA-0587064e-2
0.547
MAT-POS-281d2ee9-1
0.543
RAL-THA-1d44ff04-6
0.543
RAL-THA-2d450e86-30
0.541
PET-UNK-1e7f2e90-1
0.532
PET-UNK-8c422e11-4
0.531
DAR-DIA-0587064e-4
0.531
RAL-THA-1d44ff04-7
0.531
PET-UNK-c5865d42-1
0.531
PET-UNK-b87f07d0-1
0.531
RAL-THA-2d450e86-2
0.529
ADA-UCB-6c2cb422-1
0.529
PET-UNK-bb7ffe78-2
0.526
MIC-UNK-08fa0751-2
0.526
MAT-POS-9ff17035-3
0.526
MAT-POS-281d2ee9-2
0.526
RAL-THA-1d44ff04-8
0.526
RAL-THA-2d450e86-16
0.523
VLA-UNK-b9c208fe-2
0.523
RAL-THA-2d450e86-8
0.522
MAT-POS-281d2ee9-3
0.520
EDJ-MED-50011917-1
0.520
DAR-DIA-0587064e-3
0.520
MIC-UNK-644c43c7-2
0.520
MIC-UNK-644c43c7-4
0.515
PET-UNK-b87f07d0-2
0.515
PET-UNK-c5865d42-2
0.515
MIC-UNK-644c43c7-3
0.510
MIC-UNK-644c43c7-1
0.510
PET-UNK-cf04cb02-1
0.510
DAR-DIA-0587064e-5
0.505
NAU-LAT-0543f7f2-9
0.505
LON-WEI-9739a092-8
0.505
ALP-POS-fab80cf2-1
0.505
MAT-POS-3b92565d-3
0.500
ALP-POS-3b848b35-2
0.500
LON-WEI-9739a092-4
0.500
VLA-UNK-9a7dc93f-1
0.500
PET-UNK-372a2f82-1
0.500
DAR-DIA-0587064e-6
0.500
DAR-DIA-0587064e-7
0.500
EDJ-MED-7320d5d2-1
0.500
MAT-POS-9ff17035-2
0.495
DAR-DIA-0587064e-1
0.495
ALP-POS-df536be7-6
0.495
RAL-THA-2d450e86-27
0.495
MAT-POS-23a8a11a-1
0.494
MIC-UNK-37660950-4
0.491
RAL-THA-1d44ff04-1
0.490
LON-WEI-9739a092-7
0.490
RAL-THA-2d450e86-9
0.489
RAL-THA-2d450e86-6
0.489
RAL-THA-2d450e86-35
0.489
MAT-POS-9ff17035-1
0.486
RAL-THA-1d44ff04-12
0.486
ALP-POS-d7944b10-12
0.485
VLA-UNK-b9c208fe-1
0.485
MIC-UNK-df9dcda8-1
0.485
RAL-THA-2d450e86-29
0.484
MAT-POS-bbbbc21a-1
0.484
MAT-POS-3b92565d-1
0.484
RAL-THA-2d450e86-3
0.483
RAL-THA-2d450e86-1
0.482
PET-UNK-b87f07d0-3
0.481
BEN-DND-d1eb1f41-6
0.479
RAL-THA-2d450e86-24
0.478
PET-UNK-dd44aeb6-1
0.478
PET-UNK-dd44aeb6-2
0.478
RAL-THA-2d450e86-25
0.478
NAU-LAT-2fed8305-9
0.478
RAL-THA-2d450e86-10
0.478
MIC-UNK-37660950-3
0.477
LON-WEI-9739a092-10
0.477
LON-WEI-9739a092-1
0.477
DAR-DIA-0587064e-8
0.476
RAL-THA-1d44ff04-2
0.476