General Information of the Compound
| Compound ID |
CP0252512
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| Compound Name |
1-N'-[3-fluoro-4-[5-methyl-6-(3-methylsulfonylpropoxy)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C28H27F2N5O6S
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| Molecular Weight |
599.616
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| Canonical SMILES |
Cc1c(OCCCS(C)(=O)=O)cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12
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| InChI |
InChI=1S/C28H27F2N5O6S/c1-17-23(40-12-3-13-42(2,38)39)15-35-24(17)25(31-16-32-35)41-22-9-8-20(14-21(22)30)34-27(37)28(10-11-28)26(36)33-19-6-4-18(29)5-7-19/h4-9,14-16H,3,10-13H2,1-2H3,(H,33,36)(H,34,37)
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| InChIKey |
KHSXMHYXEDTYDH-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
Cell Viability or Cytotoxicity Assay