General Information of the Compound
| Compound ID |
CP0649806
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| Compound Name |
1-(2-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethyl)pyrrolidin-3-ol hydrochloride
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| Structure |
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| Formula |
C26H31ClN6O3
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| Molecular Weight |
511.026
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CCC(O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C26H30N6O3.ClH/c1-30-16-18(14-28-30)26-15-27-24-5-4-19(12-25(24)29-26)32(9-8-31-7-6-21(33)17-31)20-10-22(34-2)13-23(11-20)35-3;/h4-5,10-16,21,33H,6-9,17H2,1-3H3;1H
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| InChIKey |
ISVOAPUXDBEYPJ-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