Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(N2CCN(C(=O)c3ccco3)CC2)c1)Nc1cncc2ccccc12 |
MW: | 474.15 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.68 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.720498857607514 |
Order Status | |
Ordered: | 2021-02-01 |
Synthesis Location: | enamine |
Shipped: | 2021-03-10 |
LON-WEI-9739a092-9
0.677
MAT-POS-fce787c2-2
0.568
RAL-THA-2d450e86-14
0.565
PET-UNK-bb7ffe78-1
0.559
PET-UNK-bb7ffe78-3
0.542
PET-UNK-c5865d42-1
0.540
MIC-UNK-644c43c7-1
0.534
RAL-THA-2d450e86-15
0.532
RAL-THA-1d44ff04-3
0.531
EDJ-MED-50011917-1
0.529
RAL-THA-2d450e86-17
0.526
MAT-POS-cc05818f-1
0.526
PET-UNK-1e7f2e90-1
0.525
MIC-UNK-16ccb665-2
0.525
RAL-THA-1d44ff04-9
0.520
RAL-THA-1d44ff04-6
0.520
RAL-THA-1d44ff04-4
0.515
MAT-POS-3b92565d-2
0.515
RAL-THA-2d450e86-18
0.515
ALP-POS-3b848b35-1
0.515
RAL-THA-1d44ff04-5
0.515
PET-UNK-8c422e11-1
0.515
MIC-UNK-16ccb665-3
0.510
PET-UNK-8c422e11-3
0.510
MIC-UNK-16ccb665-1
0.510
MIC-UNK-644c43c7-4
0.510
ADA-UCB-6c2cb422-1
0.505
RAL-THA-1d44ff04-10
0.505
RAL-THA-1d44ff04-13
0.505
RAL-THA-1d44ff04-11
0.505
MIC-UNK-08fa0751-2
0.505
PET-UNK-8c422e11-2
0.505
MIC-UNK-644c43c7-3
0.505
MIC-UNK-644c43c7-2
0.500
RAL-THA-2d450e86-30
0.500
PET-UNK-372a2f82-1
0.495
PET-UNK-b87f07d0-1
0.495
PET-UNK-b87f07d0-2
0.495
PET-UNK-8c422e11-4
0.495
PET-UNK-cf04cb02-1
0.491
MAT-POS-9ff17035-3
0.490
PET-UNK-bb7ffe78-2
0.490
MAT-POS-281d2ee9-1
0.490
RAL-THA-2d450e86-2
0.489
PET-UNK-b87f07d0-4
0.486
ALP-POS-fab80cf2-1
0.486
DAR-DIA-0587064e-5
0.486
DAR-DIA-0587064e-3
0.486
VLA-UNK-b9c208fe-2
0.484
RAL-THA-2d450e86-16
0.484
PET-UNK-c5865d42-2
0.481
DAR-DIA-0587064e-6
0.481
EDJ-MED-7320d5d2-1
0.481
ALP-POS-3b848b35-2
0.481
MAT-POS-3b92565d-3
0.481
DAR-DIA-0587064e-4
0.481
RAL-THA-1d44ff04-7
0.481
DAR-DIA-0587064e-2
0.481
PET-UNK-b87f07d0-3
0.477
RAL-THA-1d44ff04-8
0.476
MAT-POS-281d2ee9-2
0.476
NAU-LAT-2fed8305-9
0.474
MAT-POS-281d2ee9-3
0.472
RAL-THA-2d450e86-8
0.469
MAT-POS-9ff17035-1
0.468
RAL-THA-2d450e86-35
0.468
DAR-DIA-0587064e-7
0.467
VLA-UNK-9a7dc93f-1
0.465
MAT-POS-9ff17035-2
0.464
DAR-DIA-0587064e-1
0.463
RAL-THA-2d450e86-1
0.462
RAL-THA-1d44ff04-1
0.459
RAL-THA-1d44ff04-2
0.459
LON-WEI-9739a092-8
0.459
PET-UNK-dd44aeb6-2
0.459
RAL-THA-2d450e86-24
0.459
PET-UNK-dd44aeb6-1
0.459
RAL-THA-2d450e86-25
0.459
RAL-THA-2d450e86-27
0.459
NAU-LAT-0543f7f2-9
0.459
LON-WEI-9739a092-7
0.459
MAT-POS-23a8a11a-1
0.458
RAL-THA-2d450e86-10
0.458
RAL-THA-1d44ff04-12
0.455
PET-UNK-3c72d439-1
0.455
RAL-THA-2d450e86-6
0.455
RAL-THA-2d450e86-9
0.455
MAT-POS-bbbbc21a-3
0.453
LON-WEI-9739a092-2
0.451
MAT-POS-bbbbc21a-1
0.451
MAT-POS-3b92565d-1
0.451
RAL-THA-2d450e86-29
0.451
NAU-LAT-2fed8305-5
0.449
NAU-LAT-30527ac5-1
0.448
LON-WEI-9739a092-1
0.447
DAR-DIA-0587064e-8
0.446
ALP-POS-f13221e1-3
0.444
LON-WEI-9739a092-3
0.443
NAU-LAT-2fed8305-6
0.443
LON-WEI-9739a092-4
0.442