General Information of the Compound
| Compound ID |
CP0702103
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| Compound Name |
N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-(pyrrolidin-1-yl)propyl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C25H28ClFN6O
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| Molecular Weight |
482.991
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| Canonical SMILES |
COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C25H27FN6O.ClH/c1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;/h5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);1H
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| InChIKey |
IFLIEMPAHJDKDK-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