General Information of the Compound
| Compound ID |
CP0419385
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| Compound Name |
1-(3,4-Dichloro-benzyl)-4-phenyl-piperidine-4-carbonitrile
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| Structure |
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| Formula |
C19H18Cl2N2
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| Molecular Weight |
345.273
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)(C#N)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C19H18Cl2N2/c20-17-7-6-15(12-18(17)21)13-23-10-8-19(14-22,9-11-23)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2
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| InChIKey |
VIMOYODZPQZREG-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