General Information of the Compound
| Compound ID |
CP0393951
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| Compound Name |
3-[4-[[3-(2,6-dimethylphenyl)phenoxy]methyl]triazol-1-yl]propanoic acid
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| Structure |
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| Formula |
C20H21N3O3
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| Molecular Weight |
351.406
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(OCc2cn(CCC(O)=O)nn2)c1
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| InChI |
InChI=1S/C20H21N3O3/c1-14-5-3-6-15(2)20(14)16-7-4-8-18(11-16)26-13-17-12-23(22-21-17)10-9-19(24)25/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,25)
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| InChIKey |
CHPDHJZOYRRUOS-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