General Information of the Compound
| Compound ID |
CP0540670
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| Compound Name |
3-[4-(4-bromophenyl)triazol-1-yl]-5-(4-piperidin-4-ylphenyl)benzoic acid
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| Structure |
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| Formula |
C26H23BrN4O2
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| Molecular Weight |
503.4
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Br)cc1)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C26H23BrN4O2/c27-23-7-5-20(6-8-23)25-16-31(30-29-25)24-14-21(13-22(15-24)26(32)33)18-3-1-17(2-4-18)19-9-11-28-12-10-19/h1-8,13-16,19,28H,9-12H2,(H,32,33)
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| InChIKey |
WYDVJLRYTJXITA-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