General Information of the Compound
| Compound ID |
CP0401946
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| Compound Name |
N-[6-[2-fluoro-4-[[4,4,4-trifluoro-3-(4-fluoroanilino)butanoyl]amino]phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C25H23F5N6O3
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| Molecular Weight |
550.488
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| Canonical SMILES |
Fc1ccc(NC(CC(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)c(F)c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H23F5N6O3/c26-15-3-5-16(6-4-15)33-20(25(28,29)30)12-22(37)34-17-7-8-19(18(27)11-17)39-23-13-21(31-14-32-23)35-24(38)36-9-1-2-10-36/h3-8,11,13-14,20,33H,1-2,9-10,12H2,(H,34,37)(H,31,32,35,38)
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| InChIKey |
VWIAQZUSHSKEEP-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