General Information of the Compound
| Compound ID |
CP0378237
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| Compound Name |
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
CCOC(=O)C1CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C25H30N2O2/c1-2-29-24(28)21-14-18-27(19-15-21)17-9-16-25(20-26,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,21H,2,9,14-19H2,1H3
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| InChIKey |
PFAYWWJBJWEALF-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