General Information of the Compound
| Compound ID |
CP0392874
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| Compound Name |
1-N'-[3-fluoro-4-[6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-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 |
C32H35F2N7O5
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| Molecular Weight |
635.672
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| Canonical SMILES |
CN1CCN(CC(O)COc2cn3ncnc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc5ccc(F)cc5)cc4F)c3c2C)CC1
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| InChI |
InChI=1S/C32H35F2N7O5/c1-20-27(45-18-24(42)16-40-13-11-39(2)12-14-40)17-41-28(20)29(35-19-36-41)46-26-8-7-23(15-25(26)34)38-31(44)32(9-10-32)30(43)37-22-5-3-21(33)4-6-22/h3-8,15,17,19,24,42H,9-14,16,18H2,1-2H3,(H,37,43)(H,38,44)
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| InChIKey |
OJDVWGXCETZZLV-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 | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 >= 50 nM
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TI
LI
LO
TS
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| CL000413 | MKN45 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1.2 nM
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TI
LI
LO
TS
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