General Information of the Compound
| Compound ID |
CP0550371
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| Compound Name |
3-[4-(4-tert-butylphenyl)triazol-1-yl]-5-(4-piperidin-4-ylphenyl)benzoic acid
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| Structure |
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| Formula |
C30H32N4O2
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| Molecular Weight |
480.612
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O
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| InChI |
InChI=1S/C30H32N4O2/c1-30(2,3)26-10-8-23(9-11-26)28-19-34(33-32-28)27-17-24(16-25(18-27)29(35)36)21-6-4-20(5-7-21)22-12-14-31-15-13-22/h4-11,16-19,22,31H,12-15H2,1-3H3,(H,35,36)
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| InChIKey |
RRNGYBIHFROIBV-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