General Information of the Compound
| Compound ID |
CP0538486
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| Compound Name |
4-[(1S)-1-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C20H17F3N4O3
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| Molecular Weight |
418.375
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| Canonical SMILES |
C[C@H](NC(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)nn1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H17F3N4O3/c1-12(14-4-6-15(7-5-14)19(29)30)24-18(28)17-11-27(26-25-17)10-13-2-8-16(9-3-13)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,28)(H,29,30)/t12-/m0/s1
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| InChIKey |
JEBLNDPLYYRGKI-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