General Information of the Compound
| Compound ID |
CP0402762
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| Compound Name |
4-[4-[3-(2H-tetrazol-5-yl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]phenyl]phenyl]piperidine
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| Structure |
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| Formula |
C27H23F3N8
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| Molecular Weight |
516.531
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1nnn[nH]1
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| InChI |
InChI=1S/C27H23F3N8/c28-27(29,30)23-7-5-20(6-8-23)25-16-38(37-32-25)24-14-21(13-22(15-24)26-33-35-36-34-26)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,33,34,35,36)
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| InChIKey |
AYOABWABKPSQOP-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