General Information of the Compound
| Compound ID |
CP0389456
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| Compound Name |
6-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-hexanenitrile
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| Structure |
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| Formula |
C29H31ClN2O
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| Molecular Weight |
459.033
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| Canonical SMILES |
OC1(CCN(CCCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H31ClN2O/c30-27-15-13-26(14-16-27)29(33)18-21-32(22-19-29)20-8-7-17-28(23-31,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-16,33H,7-8,17-22H2
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| InChIKey |
ONGBBJHKHVDDDE-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