General Information of the Compound
| Compound ID |
CP0533202
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| Compound Name |
[(2R)-2-benzylpiperidin-1-yl]-[4-[bis(4-fluorophenyl)-hydroxymethyl]triazol-1-yl]methanone
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| Structure |
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| Formula |
C28H26F2N4O2
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| Molecular Weight |
488.538
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| Canonical SMILES |
OC(c1cn(nn1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26F2N4O2/c29-23-13-9-21(10-14-23)28(36,22-11-15-24(30)16-12-22)26-19-34(32-31-26)27(35)33-17-5-4-8-25(33)18-20-6-2-1-3-7-20/h1-3,6-7,9-16,19,25,36H,4-5,8,17-18H2/t25-/m1/s1
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| InChIKey |
QFWGNUHJRKVYAB-RUZDIDTESA-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