General Information of the Compound
| Compound ID |
CP0471431
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| Compound Name |
4-chloro-2-[[cyclopentyl(piperidin-4-yl)amino]methyl]benzonitrile
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| Structure |
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| Formula |
C18H24ClN3
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| Molecular Weight |
317.864
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| Canonical SMILES |
Clc1ccc(C#N)c(CN(C2CCCC2)C2CCNCC2)c1
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| InChI |
InChI=1S/C18H24ClN3/c19-16-6-5-14(12-20)15(11-16)13-22(17-3-1-2-4-17)18-7-9-21-10-8-18/h5-6,11,17-18,21H,1-4,7-10,13H2
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| InChIKey |
ZURLVGKMZAEGAR-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