General Information of the Compound
| Compound ID |
CP0398974
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| Compound Name |
N-[(5-chloro-2-nitrophenyl)methyl]-N,1-dimethylpiperidin-4-amine
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| Structure |
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| Formula |
C14H20ClN3O2
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| Molecular Weight |
297.786
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| Canonical SMILES |
CN(Cc1cc(Cl)ccc1[N+]([O-])=O)C1CCN(C)CC1
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| InChI |
InChI=1S/C14H20ClN3O2/c1-16-7-5-13(6-8-16)17(2)10-11-9-12(15)3-4-14(11)18(19)20/h3-4,9,13H,5-8,10H2,1-2H3
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| InChIKey |
BLKWYBIBFDPURB-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