General Information of the Compound
| Compound ID |
CP0756736
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| Compound Name |
2-(4-{7-[(3,5-Dimethoxyphenyl){2-[(1-methylethyl)amino]ethyl}amino]quinoxalin-2-yl}-1H-pyrazol-1-yl)-N-methylacetamide hydrochloride
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| Structure |
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| Formula |
C27H34ClN7O3
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| Molecular Weight |
540.068
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| Canonical SMILES |
CNC(=O)Cn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.Cl
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| InChI |
InChI=1S/C27H33N7O3.ClH/c1-18(2)29-8-9-34(21-10-22(36-4)13-23(11-21)37-5)20-6-7-24-25(12-20)32-26(15-30-24)19-14-31-33(16-19)17-27(35)28-3;/h6-7,10-16,18,29H,8-9,17H2,1-5H3,(H,28,35);1H
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| InChIKey |
PYJDPABTHPQPLS-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