General Information of the Compound
| Compound ID |
CP0690539
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(piperidin-4-yl)prop-2-ynyl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C28H31ClN6O2
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| Molecular Weight |
519.049
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#CC2CCNCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C28H30N6O2.ClH/c1-33-19-21(17-31-33)28-18-30-26-7-6-22(15-27(26)32-28)34(12-4-5-20-8-10-29-11-9-20)23-13-24(35-2)16-25(14-23)36-3;/h6-7,13-20,29H,8-12H2,1-3H3;1H
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| InChIKey |
CYCMDJPHKDFINU-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