General Information of the Compound
| Compound ID |
CP0435683
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| Compound Name |
4-[(1S)-1-[[5-cyclobutyl-3-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1CCC1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H23F3N4O3/c1-14(16-7-9-18(10-8-16)23(33)34)28-22(32)21-20(17-3-2-4-17)29-30-31(21)13-15-5-11-19(12-6-15)24(25,26)27/h5-12,14,17H,2-4,13H2,1H3,(H,28,32)(H,33,34)/t14-/m0/s1
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| InChIKey |
BSJCLXWNFKSQIG-AWEZNQCLSA-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