General Information of the Compound
| Compound ID |
CP0143774
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| Compound Name |
1-N'-[4-[6-(2,3-dihydroxypropoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C27H25F2N5O6
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| Molecular Weight |
553.522
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| Canonical SMILES |
Cc1c(OCC(O)CO)cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12
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| InChI |
InChI=1S/C27H25F2N5O6/c1-15-22(39-13-19(36)12-35)11-34-23(15)24(30-14-31-34)40-21-7-6-18(10-20(21)29)33-26(38)27(8-9-27)25(37)32-17-4-2-16(28)3-5-17/h2-7,10-11,14,19,35-36H,8-9,12-13H2,1H3,(H,32,37)(H,33,38)
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| InChIKey |
AEAOPPHJQXFHPG-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 | |
| CL000413 | MKN45 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9.7 nM
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| CL000504 | EBC-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 6.7 nM
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