General Information of the Compound
| Compound ID |
CP0672783
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| Compound Name |
2-(4-(2-(4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)ethyl)piperazin-1-yl)ethanol hydrochloride
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| Structure |
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| Formula |
C31H40ClN7O3
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| Molecular Weight |
594.16
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCN(CCO)CC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C31H39N7O3.ClH/c1-40-27-15-26(16-28(18-27)41-2)38(21-23-3-4-23)25-5-6-29-30(17-25)34-31(20-32-29)24-19-33-37(22-24)12-11-35-7-9-36(10-8-35)13-14-39;/h5-6,15-20,22-23,39H,3-4,7-14,21H2,1-2H3;1H
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| InChIKey |
VODOUHVUVVFGNL-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