General Information of the Compound
| Compound ID |
CP0533271
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| Compound Name |
4-[(1S)-1-[[5-phenyl-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C27H23F3N4O4
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| Molecular Weight |
524.499
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1CCOc1ccc(cc1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H23F3N4O4/c1-17(18-7-9-20(10-8-18)26(36)37)31-25(35)24-23(19-5-3-2-4-6-19)32-33-34(24)15-16-38-22-13-11-21(12-14-22)27(28,29)30/h2-14,17H,15-16H2,1H3,(H,31,35)(H,36,37)/t17-/m0/s1
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| InChIKey |
ARQCHEKNTRDZOM-KRWDZBQOSA-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