General Information of the Compound
| Compound ID |
CP0409124
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| Compound Name |
3-[4-[[3-(4-chlorophenyl)triazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C20H20ClN3O3
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| Molecular Weight |
385.851
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| Canonical SMILES |
Cc1c(C)c(OCc2cnnn2-c2ccc(Cl)cc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C20H20ClN3O3/c1-13-14(2)19(9-3-15(13)4-10-20(25)26)27-12-18-11-22-23-24(18)17-7-5-16(21)6-8-17/h3,5-9,11H,4,10,12H2,1-2H3,(H,25,26)
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| InChIKey |
BPMIJKKCMYLBAK-UHFFFAOYSA-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