General Information of the Compound
| Compound ID |
CP0507529
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-phenyl-2-piperidin-1-yl-pentanenitrile
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| Structure |
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| Formula |
C27H34ClN3O
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| Molecular Weight |
452.042
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)(N2CCCCC2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H34ClN3O/c28-25-12-10-24(11-13-25)27(32)15-20-30(21-16-27)17-7-14-26(22-29,23-8-3-1-4-9-23)31-18-5-2-6-19-31/h1,3-4,8-13,32H,2,5-7,14-21H2
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| InChIKey |
CUIGXBUECCRLGR-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