General Information of the Compound
| Compound ID |
CP0459224
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| Compound Name |
4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-diphenylbutanenitrile
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| Structure |
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| Formula |
C27H28N2O
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| Molecular Weight |
396.534
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| Canonical SMILES |
OC1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H28N2O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-19-29-20-17-27(30,18-21-29)25-14-8-3-9-15-25/h1-15,30H,16-21H2
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| InChIKey |
OTIRSAHHBSNELX-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