General Information of the Compound
| Compound ID |
CP0864935
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(2-((3R,5R)-3,5-dimethylpiperidin-1-yl)ethyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C29H37ClN6O2
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| Molecular Weight |
537.108
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2C[C@H](C)C[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C29H36N6O2.ClH/c1-20-10-21(2)18-34(17-20)8-9-35(24-11-25(36-4)14-26(12-24)37-5)23-6-7-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;/h6-7,11-16,19-21H,8-10,17-18H2,1-5H3;1H/t20-,21-;/m1./s1
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| InChIKey |
WHUMIEYXIJFRTO-MUCZFFFMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2