General Information of the Compound
| Compound ID |
CP0530143
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| Compound Name |
3-[4-(4-pentoxyphenyl)triazol-1-yl]-5-(4-piperidin-4-ylphenyl)benzoic acid
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| Structure |
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| Formula |
C31H34N4O3
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| Molecular Weight |
510.638
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| Canonical SMILES |
CCCCCOc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O
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| InChI |
InChI=1S/C31H34N4O3/c1-2-3-4-17-38-29-11-9-25(10-12-29)30-21-35(34-33-30)28-19-26(18-27(20-28)31(36)37)23-7-5-22(6-8-23)24-13-15-32-16-14-24/h5-12,18-21,24,32H,2-4,13-17H2,1H3,(H,36,37)
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| InChIKey |
WXTAOOXBNIHRTR-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