General Information of the Compound
| Compound ID |
CP0672827
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N2-isopropyl-N1-(3-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C26H30ClF3N6O2
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| Molecular Weight |
551.013
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn(C)nc4C(F)(F)F)nc3c2)c1.Cl
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| InChI |
InChI=1S/C26H29F3N6O2.ClH/c1-16(2)30-8-9-35(18-10-19(36-4)13-20(11-18)37-5)17-6-7-22-23(12-17)32-24(14-31-22)21-15-34(3)33-25(21)26(27,28)29;/h6-7,10-16,30H,8-9H2,1-5H3;1H
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| InChIKey |
LICUIVYUCVDRRG-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