General Information of the Compound
| Compound ID |
CP0664742
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| Compound Name |
(3-((3-hydroxypropyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-5-methoxyphenyl)(pyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C27H31ClN6O3
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| Molecular Weight |
523.037
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| Canonical SMILES |
COc1cc(C(=O)N2CCCC2)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H30N6O3.ClH/c1-31-18-20(16-29-31)26-17-28-24-7-6-21(15-25(24)30-26)33(10-5-11-34)22-12-19(13-23(14-22)36-2)27(35)32-8-3-4-9-32;/h6-7,12-18,34H,3-5,8-11H2,1-2H3;1H
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| InChIKey |
XIGQDVFIOYNOFH-UHFFFAOYSA-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