General Information of the Compound
| Compound ID |
CP0476649
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile
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| Structure |
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| Formula |
C25H31ClN2O4
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| Molecular Weight |
458.986
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
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| InChI |
InChI=1S/C25H31ClN2O4/c1-30-22-15-19(16-23(31-2)24(22)32-3)18(17-27)5-4-12-28-13-10-25(29,11-14-28)20-6-8-21(26)9-7-20/h6-9,15-16,18,29H,4-5,10-14H2,1-3H3
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| InChIKey |
NQZCEZDYGOPECZ-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