General Information of the Compound
| Compound ID |
CP0253734
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| Compound Name |
N-[3-fluoro-4-[2-[4-[(4-methylpiperazin-1-yl)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 |
C35H33FN6O3S
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| Molecular Weight |
636.753
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(C5=O)c5ccccc5)cc4F)c3s2)CC1
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| InChI |
InChI=1S/C35H33FN6O3S/c1-39-15-17-40(18-16-39)23-24-7-9-25(10-8-24)32-22-29-33(46-32)31(13-14-37-29)45-30-12-11-26(21-28(30)36)38-34(43)42-20-19-41(35(42)44)27-5-3-2-4-6-27/h2-14,21-22H,15-20,23H2,1H3,(H,38,43)
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| InChIKey |
RIXXXEWTJFUQDB-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