General Information of the Compound
| Compound ID |
CP0433267
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| Compound Name |
4-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]benzonitrile
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| Structure |
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| Formula |
C14H18ClN3
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| Molecular Weight |
263.772
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| Canonical SMILES |
CN(Cc1cc(Cl)ccc1C#N)C1CCNCC1
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| InChI |
InChI=1S/C14H18ClN3/c1-18(14-4-6-17-7-5-14)10-12-8-13(15)3-2-11(12)9-16/h2-3,8,14,17H,4-7,10H2,1H3
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| InChIKey |
SQXMVZALZWYNAX-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