General Information of the Compound
| Compound ID |
CP0533578
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| Compound Name |
4-[(1S)-1-[[5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C21H19F3N4O3
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| Molecular Weight |
432.402
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| Canonical SMILES |
C[C@H](NC(=O)c1c(C)nnn1Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H19F3N4O3/c1-12(15-5-7-16(8-6-15)20(30)31)25-19(29)18-13(2)26-27-28(18)11-14-3-9-17(10-4-14)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,29)(H,30,31)/t12-/m0/s1
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| InChIKey |
RQEYANHEXINLEL-LBPRGKRZSA-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