General Information of the Compound
| Compound ID |
CP0079521
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| Compound Name |
1-N'-[3-fluoro-4-[6-(2-hydroxy-3-morpholin-4-ylpropoxy)-5-methylpyrrolo[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 |
C31H32F2N6O6
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| Molecular Weight |
622.629
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| Canonical SMILES |
Cc1c(OCC(O)CN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12
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| InChI |
InChI=1S/C31H32F2N6O6/c1-19-26(44-17-23(40)15-38-10-12-43-13-11-38)16-39-27(19)28(34-18-35-39)45-25-7-6-22(14-24(25)33)37-30(42)31(8-9-31)29(41)36-21-4-2-20(32)3-5-21/h2-7,14,16,18,23,40H,8-13,15,17H2,1H3,(H,36,41)(H,37,42)
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| InChIKey |
OFPQHQDWNLXNKV-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
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000145 | NCI-H460 | Homo sapiens (Human) | 1 |
| 1 |
IC50 >= 50 nM
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TI
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LO
TS
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