General Information of the Compound
| Compound ID |
CP0692460
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| Compound Name |
N-((5-chlorothiophen-2-yl)methyl)-3-(1-((5-chlorothiophen-2-yl)methyl)-1H-pyrazol-4-yl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H23Cl2N5O2S2
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| Molecular Weight |
608.576
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| Canonical SMILES |
COc1cc(OC)cc(N(Cc2ccc(Cl)s2)c2ccc3ncc(-c4cnn(Cc5ccc(Cl)s5)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H23Cl2N5O2S2/c1-37-21-9-20(10-22(12-21)38-2)36(17-24-5-8-29(31)40-24)19-3-6-25-26(11-19)34-27(14-32-25)18-13-33-35(15-18)16-23-4-7-28(30)39-23/h3-15H,16-17H2,1-2H3
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| InChIKey |
FIQIEPWFBOWJLF-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