General Information of the Compound
| Compound ID |
CP0477507
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| Compound Name |
4-[(1S)-1-[[5-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C23H21F3N4O3
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| Molecular Weight |
458.44
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1CC1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H21F3N4O3/c1-13(15-4-8-17(9-5-15)22(32)33)27-21(31)20-19(16-6-7-16)28-29-30(20)12-14-2-10-18(11-3-14)23(24,25)26/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,27,31)(H,32,33)/t13-/m0/s1
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| InChIKey |
HUVWABYNWHWQPH-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