General Information of the Compound
| Compound ID |
CP0744815
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(2-((2S,6R)-2,6-dimethylmorpholino)ethyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C28H35ClN6O3
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| Molecular Weight |
539.08
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2C[C@@H](C)O[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C28H34N6O3.ClH/c1-19-16-33(17-20(2)37-19)8-9-34(23-10-24(35-4)13-25(11-23)36-5)22-6-7-26-27(12-22)31-28(15-29-26)21-14-30-32(3)18-21;/h6-7,10-15,18-20H,8-9,16-17H2,1-5H3;1H/t19-,20+;
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| InChIKey |
ZGRYRAJCDPWOIP-AMDBCLDASA-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