General Information of the Compound
| Compound ID |
CP0673335
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| Compound Name |
N-(3,5-Dimethoxyphenyl)-N-[3-(1-ethyl-1H-pyrazol-4-yl)quinoxalin-6-yl]-N'-(1-methylethyl)ethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C26H33ClN6O2
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| Molecular Weight |
497.043
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| Canonical SMILES |
CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.Cl
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| InChI |
InChI=1S/C26H32N6O2.ClH/c1-6-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18(2)3)21-11-22(33-4)14-23(12-21)34-5;/h7-8,11-18,27H,6,9-10H2,1-5H3;1H
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| InChIKey |
JXMILDCVWHKPCY-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