General Information of the Compound
| Compound ID |
CP0477479
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| Compound Name |
4-[(1S)-1-[[5-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C21H16F6N4O3
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| Molecular Weight |
486.372
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| Canonical SMILES |
C[C@H](NC(=O)c1nnn(Cc2cccc(c2)C(F)(F)F)c1C(F)(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H16F6N4O3/c1-11(13-5-7-14(8-6-13)19(33)34)28-18(32)16-17(21(25,26)27)31(30-29-16)10-12-3-2-4-15(9-12)20(22,23)24/h2-9,11H,10H2,1H3,(H,28,32)(H,33,34)/t11-/m0/s1
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| InChIKey |
ILZYURKVKQKPFH-NSHDSACASA-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