General Information of the Compound
| Compound ID |
CP0943522
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| Compound Name |
(S)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-3-(4-hydroxyphenyl)propanoic acid
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| Structure |
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| Formula |
C24H19ClF3NO5
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| Molecular Weight |
493.865
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| Canonical SMILES |
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C24H19ClF3NO5/c25-19-12-17(24(26,27)28)6-9-21(19)34-13-15-2-1-3-16(10-15)22(31)29-20(23(32)33)11-14-4-7-18(30)8-5-14/h1-10,12,20,30H,11,13H2,(H,29,31)(H,32,33)/t20-/m0/s1
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| InChIKey |
PXWNTKHYCCORAS-FQEVSTJZSA-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