General Information of the Compound
| Compound ID |
CP0457143
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(3-chloro-propyl)-2-phenyl-pentanenitrile
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| Structure |
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| Formula |
C25H30Cl2N2O
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| Molecular Weight |
445.434
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| Canonical SMILES |
OC1(CCN(CCCC(CCCCl)(C#N)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H30Cl2N2O/c26-16-4-12-24(20-28,21-6-2-1-3-7-21)13-5-17-29-18-14-25(30,15-19-29)22-8-10-23(27)11-9-22/h1-3,6-11,30H,4-5,12-19H2
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| InChIKey |
MKWYUUGTDWIPNH-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