General Information of the Compound
| Compound ID |
CP0749420
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N1-(3-(5-ethyl-1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N2-isopropylethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C27H35ClN6O2
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| Molecular Weight |
511.07
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| Canonical SMILES |
CCc1c(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cnn1C.Cl
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| InChI |
InChI=1S/C27H34N6O2.ClH/c1-7-27-23(16-30-32(27)4)26-17-29-24-9-8-19(14-25(24)31-26)33(11-10-28-18(2)3)20-12-21(34-5)15-22(13-20)35-6;/h8-9,12-18,28H,7,10-11H2,1-6H3;1H
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| InChIKey |
DTLAIVUWXPJAMT-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