General Information of the Compound
| Compound ID |
CP0395592
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| Compound Name |
(3S)-3-[4-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]phenyl]-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
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| Structure |
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| Formula |
C26H24ClN3O3
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| Molecular Weight |
461.949
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| Canonical SMILES |
Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2ncnn2C)c1
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| InChI |
InChI=1S/C26H24ClN3O3/c1-17-12-21(27)8-11-23(17)20-5-3-4-18(13-20)15-33-22-9-6-19(7-10-22)24(14-25(31)32)26-28-16-29-30(26)2/h3-13,16,24H,14-15H2,1-2H3,(H,31,32)/t24-/m0/s1
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| InChIKey |
VYJGZGJDHXRHEK-DEOSSOPVSA-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