General Information of the Compound
| Compound ID |
CP0493069
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| Compound Name |
N-[3-fluoro-4-[2-[4-[[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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| Structure |
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| Formula |
C38H40FN7O3S
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| Molecular Weight |
693.849
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| Canonical SMILES |
CN(CCN1CCN(C)CC1)Cc1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C38H40FN7O3S/c1-42-16-19-44(20-17-42)21-18-43(2)26-27-8-10-28(11-9-27)35-25-32-36(50-35)34(14-15-40-32)49-33-13-12-29(24-31(33)39)41-37(47)46-23-22-45(38(46)48)30-6-4-3-5-7-30/h3-15,24-25H,16-23,26H2,1-2H3,(H,41,47)
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| InChIKey |
CVUXIABNRCIXRF-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: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2