General Information of the Compound
| Compound ID |
CP0373253
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-cyano-2-phenyl-pentanoic acid ethyl ester
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| Structure |
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| Formula |
C25H29ClN2O3
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| Molecular Weight |
440.971
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| Canonical SMILES |
CCOC(=O)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C25H29ClN2O3/c1-2-31-23(29)24(19-27,20-7-4-3-5-8-20)13-6-16-28-17-14-25(30,15-18-28)21-9-11-22(26)12-10-21/h3-5,7-12,30H,2,6,13-18H2,1H3
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| InChIKey |
FLCHLKRLUODAAE-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