General Information of the Compound
| Compound ID |
CP0494146
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| Compound Name |
3-(4-piperidin-4-ylphenyl)-5-[4-(4-propan-2-ylphenyl)triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O
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| InChI |
InChI=1S/C29H30N4O2/c1-19(2)20-3-9-24(10-4-20)28-18-33(32-31-28)27-16-25(15-26(17-27)29(34)35)22-7-5-21(6-8-22)23-11-13-30-14-12-23/h3-10,15-19,23,30H,11-14H2,1-2H3,(H,34,35)
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| InChIKey |
WMUQBSDUEWKZCL-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