General Information of the Compound
| Compound ID |
CP0440195
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| Compound Name |
1-N'-[3-fluoro-4-[5-methyl-6-(3-morpholin-4-ylpropylcarbamoyl)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 |
C32H33F2N7O5
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| Molecular Weight |
633.656
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| Canonical SMILES |
Cc1c(cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12)C(=O)NCCCN1CCOCC1
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| InChI |
InChI=1S/C32H33F2N7O5/c1-20-24(28(42)35-11-2-12-40-13-15-45-16-14-40)18-41-27(20)29(36-19-37-41)46-26-8-7-23(17-25(26)34)39-31(44)32(9-10-32)30(43)38-22-5-3-21(33)4-6-22/h3-8,17-19H,2,9-16H2,1H3,(H,35,42)(H,38,43)(H,39,44)
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| InChIKey |
UEPPBJWMOQEIAS-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