General Information of the Compound
| Compound ID |
CP0447489
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| Compound Name |
3-anilino-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]-4,4,4-trifluorobutanamide
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| Structure |
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| Formula |
C26H22F4N4O4
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| Molecular Weight |
530.478
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(NC(=O)CC(Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC
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| InChI |
InChI=1S/C26H22F4N4O4/c1-36-21-11-17-19(12-22(21)37-2)31-14-32-25(17)38-20-9-8-16(10-18(20)27)34-24(35)13-23(26(28,29)30)33-15-6-4-3-5-7-15/h3-12,14,23,33H,13H2,1-2H3,(H,34,35)
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| InChIKey |
JKCHAENVNKVZKN-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
Protein ID: PT00864, Vascular endothelial growth factor receptor 2