General Information of the Compound
| Compound ID |
CP0672905
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(3-(methylamino)pyrrolidin-1-yl)propyl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C28H36ClN7O2
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| Molecular Weight |
538.096
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| Canonical SMILES |
CNC1CCN(CCCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)C1.Cl
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| InChI |
InChI=1S/C28H35N7O2.ClH/c1-29-21-8-11-34(19-21)9-5-10-35(23-12-24(36-3)15-25(13-23)37-4)22-6-7-26-27(14-22)32-28(17-30-26)20-16-31-33(2)18-20;/h6-7,12-18,21,29H,5,8-11,19H2,1-4H3;1H
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| InChIKey |
ACJGNAWZBBEJBZ-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