General Information of the Compound
| Compound ID |
CP0567014
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| Compound Name |
3-[[4-[(E)-N-[[4-(4-fluorophenyl)-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
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| Structure |
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| Formula |
C26H24F4N2O3
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| Molecular Weight |
488.481
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| Canonical SMILES |
C\C(=N/OCc1ccc(-c2ccc(F)cc2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
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| InChI |
InChI=1S/C26H24F4N2O3/c1-17(20-5-2-18(3-6-20)15-31-13-12-25(33)34)32-35-16-19-4-11-23(24(14-19)26(28,29)30)21-7-9-22(27)10-8-21/h2-11,14,31H,12-13,15-16H2,1H3,(H,33,34)/b32-17+
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| InChIKey |
WHVIRHWAJRUOKN-VTNSRFBWSA-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