General Information of the Compound
| Compound ID |
CP0477477
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| Compound Name |
4-[(1S)-1-[[5-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C22H21F3N4O3
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| Molecular Weight |
446.429
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| Canonical SMILES |
CCc1c(nnn1Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H21F3N4O3/c1-3-18-19(20(30)26-13(2)15-6-8-16(9-7-15)21(31)32)27-28-29(18)12-14-4-10-17(11-5-14)22(23,24)25/h4-11,13H,3,12H2,1-2H3,(H,26,30)(H,31,32)/t13-/m0/s1
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| InChIKey |
TUEZCDRQKVOWHT-ZDUSSCGKSA-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