General Information of the Compound
| Compound ID |
CP0439939
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| Compound Name |
(3S)-3-[4-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C26H23ClO3
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| Molecular Weight |
418.92
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)cc2C)cc1
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| InChI |
InChI=1S/C26H23ClO3/c1-3-5-21(16-26(28)29)20-8-11-24(12-9-20)30-17-19-6-4-7-22(15-19)25-13-10-23(27)14-18(25)2/h4,6-15,21H,16-17H2,1-2H3,(H,28,29)/t21-/m0/s1
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| InChIKey |
KOGVIRCCGUCXCK-NRFANRHFSA-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