General Information of the Compound
| Compound ID |
CP0438582
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-ethyl-2-phenyl-pentanenitrile
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| Structure |
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| Formula |
C24H29ClN2O
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| Molecular Weight |
396.962
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| Canonical SMILES |
CCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C24H29ClN2O/c1-2-23(19-26,20-7-4-3-5-8-20)13-6-16-27-17-14-24(28,15-18-27)21-9-11-22(25)12-10-21/h3-5,7-12,28H,2,6,13-18H2,1H3
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| InChIKey |
OJXDWPYENNRUMU-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