General Information of the Compound
| Compound ID |
CP0540279
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| Compound Name |
5-(4-Hydroxy-4-methyl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
CC1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C23H28N2O/c1-22(26)14-17-25(18-15-22)16-8-13-23(19-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,26H,8,13-18H2,1H3
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| InChIKey |
QFIUGKSNPZWDNR-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