General Information of the Compound
| Compound ID |
CP0664656
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| Compound Name |
4-((4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5(O)CCNCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H34N6O3/c1-37-24-11-23(12-25(14-24)38-2)35(17-20-3-4-20)22-5-6-26-27(13-22)33-28(16-31-26)21-15-32-34(18-21)19-29(36)7-9-30-10-8-29/h5-6,11-16,18,20,30,36H,3-4,7-10,17,19H2,1-2H3
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| InChIKey |
LLLHXFXUIWPWMH-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