Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(Oc2cccnc2)c1)Nc1cncc2ccccc12 |
MW: | 389.09 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 5.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.29288471284159 |
IC50 (µM) - RapidFire: | 1.47558605118895 |
Order Status | |
Ordered: | 2020-08-05 |
Synthesis Location: | enamine |
Shipped: | 2020-10-06 |
RAL-THA-2d450e86-18
0.718
MAT-POS-3b92565d-2
0.718
ALP-POS-3b848b35-1
0.718
ROB-UNI-611831f5-1
0.689
RAL-THA-1d44ff04-12
0.685
MIC-UNK-16ccb665-1
0.683
PET-UNK-8c422e11-3
0.683
MAT-POS-9ff17035-2
0.682
PET-UNK-bb7ffe78-2
0.675
MAT-POS-fce787c2-2
0.667
DAR-DIA-0587064e-2
0.659
PET-UNK-8c422e11-4
0.659
DAR-DIA-0587064e-4
0.659
DAR-DIA-0587064e-5
0.644
DAR-DIA-0587064e-3
0.644
RAL-THA-1d44ff04-1
0.637
DAR-DIA-0587064e-7
0.636
MAT-POS-3b92565d-3
0.633
ALP-POS-3b848b35-2
0.633
EDJ-MED-7320d5d2-1
0.633
DAR-DIA-0587064e-1
0.629
PET-UNK-cf04cb02-1
0.629
NAU-LAT-0543f7f2-9
0.622
RAL-THA-2d450e86-14
0.617
RAL-THA-2d450e86-15
0.617
DAR-DIA-0587064e-6
0.615
PET-UNK-bb7ffe78-1
0.610
DAR-DIA-0587064e-8
0.602
RAL-THA-1d44ff04-2
0.602
RAL-THA-1d44ff04-10
0.600
MAT-POS-9ff17035-1
0.596
RAL-THA-1d44ff04-4
0.595
MAT-POS-cc05818f-1
0.588
MIC-UNK-16ccb665-3
0.588
PET-UNK-bb7ffe78-3
0.588
RAL-THA-2d450e86-17
0.588
RAL-THA-1d44ff04-7
0.584
RAL-THA-2d450e86-30
0.582
RAL-THA-1d44ff04-13
0.581
RAL-THA-1d44ff04-6
0.580
RAL-THA-1d44ff04-8
0.578
MAT-POS-281d2ee9-2
0.578
RAL-THA-1d44ff04-3
0.575
RAL-THA-1d44ff04-5
0.575
PET-UNK-8c422e11-1
0.575
PET-UNK-1e7f2e90-1
0.568
MIC-UNK-16ccb665-2
0.568
ADA-UCB-6c2cb422-1
0.568
MIC-UNK-08fa0751-2
0.562
PET-UNK-8c422e11-2
0.562
MAT-POS-281d2ee9-1
0.562
RAL-THA-1d44ff04-11
0.562
RAL-THA-1d44ff04-9
0.562
VLA-UNK-b9c208fe-2
0.561
RAL-THA-2d450e86-2
0.550
PET-UNK-c5865d42-1
0.549
MIC-UNK-644c43c7-4
0.549
MAT-POS-23a8a11a-1
0.549
PET-UNK-372a2f82-1
0.548
PET-UNK-b87f07d0-2
0.548
MIC-UNK-644c43c7-3
0.543
RAL-THA-2d450e86-16
0.543
RAL-THA-2d450e86-9
0.541
RAL-THA-2d450e86-11
0.541
RAL-THA-2d450e86-6
0.541
EDJ-MED-50011917-1
0.538
ERI-UCB-ce40166b-8
0.538
MAT-POS-281d2ee9-3
0.538
VLA-UNK-9a7dc93f-1
0.535
PET-UNK-b87f07d0-1
0.532
MIC-UNK-644c43c7-1
0.526
LON-WEI-9739a092-9
0.526
RAL-THA-2d450e86-8
0.523
MIC-UNK-644c43c7-2
0.521
LON-WEI-9739a092-7
0.521
LON-WEI-9739a092-8
0.520
LON-WEI-9739a092-1
0.520
RAL-THA-2d450e86-1
0.519
RAL-THA-2d450e86-4
0.518
ALP-POS-f13221e1-2
0.517
PET-UNK-c5865d42-2
0.515
LON-WEI-9739a092-4
0.515
NAU-LAT-2fed8305-9
0.512
RAL-THA-2d450e86-33
0.512
PET-UNK-b87f07d0-3
0.510
RAL-THA-2d450e86-35
0.506
RAL-THA-2d450e86-34
0.506
PET-UNK-3c72d439-1
0.506
ALP-POS-fab80cf2-1
0.505
LON-WEI-9739a092-10
0.505
VLA-UNK-b9c208fe-1
0.500
NAU-LAT-2fed8305-5
0.500
MAT-POS-bbbbc21a-1
0.500
RAL-THA-2d450e86-29
0.500
MAT-POS-3b92565d-1
0.500
LON-WEI-9739a092-3
0.500
RAL-THA-2d450e86-3
0.500
LON-WEI-9739a092-2
0.495
DAR-DIA-0587064e-9
0.495
VLA-UNK-9a7dc93f-2
0.495