General Information of the Compound
| Compound ID |
CP0969021
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| Compound Name |
(R)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C18H15ClF3NO4
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| Molecular Weight |
401.768
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| Canonical SMILES |
C[C@@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O
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| InChI |
InChI=1S/C18H15ClF3NO4/c1-10(17(25)26)23-16(24)12-4-2-3-11(7-12)9-27-15-6-5-13(8-14(15)19)18(20,21)22/h2-8,10H,9H2,1H3,(H,23,24)(H,25,26)/t10-/m1/s1
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| InChIKey |
SJHHZIPCIDRJQR-SNVBAGLBSA-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