General Information of the Compound
| Compound ID |
CP0382298
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| Compound Name |
2-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-4-chlorobenzonitrile
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| Structure |
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| Formula |
C21H24ClN3
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| Molecular Weight |
353.897
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| Canonical SMILES |
CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H24ClN3/c1-24(16-19-13-20(22)8-7-18(19)14-23)21-9-11-25(12-10-21)15-17-5-3-2-4-6-17/h2-8,13,21H,9-12,15-16H2,1H3
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| InChIKey |
DOFZOAMBMNJKJI-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
Protein ID: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible