General Information of the Compound
| Compound ID |
CP0964720
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| Compound Name |
(2S,3R)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-3-hydroxybutanoic acid
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| Structure |
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| Formula |
C19H17ClF3NO5
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| Molecular Weight |
431.794
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O
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| InChI |
InChI=1S/C19H17ClF3NO5/c1-10(25)16(18(27)28)24-17(26)12-4-2-3-11(7-12)9-29-15-6-5-13(8-14(15)20)19(21,22)23/h2-8,10,16,25H,9H2,1H3,(H,24,26)(H,27,28)/t10-,16+/m1/s1
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| InChIKey |
BJZLUOFFHKRKBP-HWPZZCPQSA-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