General Information of the Compound
| Compound ID |
CP0702104
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| Compound Name |
N-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)propyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide hydrochloride
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| Structure |
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| Formula |
C27H30ClF3N6O4
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| Molecular Weight |
595.022
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H29F3N6O4.ClH/c1-26(38,27(28,29)30)25(37)31-8-5-9-36(19-10-20(39-3)13-21(11-19)40-4)18-6-7-22-23(12-18)34-24(15-32-22)17-14-33-35(2)16-17;/h6-7,10-16,38H,5,8-9H2,1-4H3,(H,31,37);1H
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| InChIKey |
KFJOXEZTTGGPOW-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