General Information of the Compound
| Compound ID |
CP0962652
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| Compound Name |
(S)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-3-methylbutanoic acid
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| Structure |
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| Formula |
C20H19ClF3NO4
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| Molecular Weight |
429.822
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O
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| InChI |
InChI=1S/C20H19ClF3NO4/c1-11(2)17(19(27)28)25-18(26)13-5-3-4-12(8-13)10-29-16-7-6-14(9-15(16)21)20(22,23)24/h3-9,11,17H,10H2,1-2H3,(H,25,26)(H,27,28)/t17-/m0/s1
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| InChIKey |
NLOJNLTYJHXVAM-KRWDZBQOSA-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