General Information of the Compound
| Compound ID |
CP0756689
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| Compound Name |
N-((5-chlorothiophen-2-yl)methyl)-N-(3,5-dimethoxyphenyl)-3-(1-(2-(piperazin-1-yl)ethyl)-1H-pyrazol-4-yl)quinoxalin-6-amine hydrochloride
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| Structure |
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| Formula |
C30H33Cl2N7O2S
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| Molecular Weight |
626.614
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| Canonical SMILES |
COc1cc(OC)cc(N(Cc2ccc(Cl)s2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C30H32ClN7O2S.ClH/c1-39-24-13-23(14-25(16-24)40-2)38(20-26-4-6-30(31)41-26)22-3-5-27-28(15-22)35-29(18-33-27)21-17-34-37(19-21)12-11-36-9-7-32-8-10-36;/h3-6,13-19,32H,7-12,20H2,1-2H3;1H
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| InChIKey |
NEZTVLXEJBQTPI-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