General Information of the Compound
| Compound ID |
CP0454743
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| Compound Name |
5-[4-(3,5-Dichloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C28H28Cl2N2O
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| Molecular Weight |
479.451
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C28H28Cl2N2O/c29-25-18-24(19-26(30)20-25)28(33)13-16-32(17-14-28)15-7-12-27(21-31,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,18-20,33H,7,12-17H2
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| InChIKey |
JDLFQOUTQUGCED-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