General Information of the Compound
| Compound ID |
CP0505495
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| Compound Name |
3-[[4-[(E)-C-methyl-N-[[4-(4-methylphenyl)-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methylamino]propanoic acid
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| Structure |
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| Formula |
C27H27F3N2O3
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| Molecular Weight |
484.518
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| Canonical SMILES |
C\C(=N/OCc1ccc(-c2ccc(C)cc2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
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| InChI |
InChI=1S/C27H27F3N2O3/c1-18-3-8-23(9-4-18)24-12-7-21(15-25(24)27(28,29)30)17-35-32-19(2)22-10-5-20(6-11-22)16-31-14-13-26(33)34/h3-12,15,31H,13-14,16-17H2,1-2H3,(H,33,34)/b32-19+
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| InChIKey |
WKAJFWLOWYVVFK-BIZUNTBRSA-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