General Information of the Compound
| Compound ID |
CP0707217
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| Compound Name |
N-(3,5-Dimethoxyphenyl)-N-{3-[1-(1-methylethyl)-1H-pyrazol-4-yl]quinoxalin-6-yl}-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine hydrochloride
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| Structure |
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| Formula |
C27H32ClF3N6O2
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| Molecular Weight |
565.04
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H31F3N6O2.ClH/c1-18(2)36-16-19(14-33-36)26-15-32-24-7-6-20(12-25(24)34-26)35(9-5-8-31-17-27(28,29)30)21-10-22(37-3)13-23(11-21)38-4;/h6-7,10-16,18,31H,5,8-9,17H2,1-4H3;1H
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| InChIKey |
VNKOQGCHLFSNGI-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