General Information of the Compound
| Compound ID |
CP0867039
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| Compound Name |
1-[(1-Propionylpiperidin-4-yl)amino]ethaniminium bromide
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| Structure |
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| Formula |
C10H20BrN3O2
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| Molecular Weight |
294.193
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| Canonical SMILES |
Br.CCOC(=O)N1CCC(NC(C)=N)CC1
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| InChI |
InChI=1S/C10H19N3O2.BrH/c1-3-15-10(14)13-6-4-9(5-7-13)12-8(2)11;/h9H,3-7H2,1-2H3,(H2,11,12);1H
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| InChIKey |
JYIAUSGLWIHBQQ-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: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible