General Information of the Compound
| Compound ID |
CP0845424
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| Compound Name |
1-[(3-{[(Pyridin-4-ylmethyl)amino]methyl}benzyl)amino]ethaniminium bromide
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| Structure |
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| Formula |
C16H21BrN4
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| Molecular Weight |
349.276
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| Canonical SMILES |
Br.CC(=N)NCc1cccc(CNCc2ccncc2)c1
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| InChI |
InChI=1S/C16H20N4.BrH/c1-13(17)20-12-16-4-2-3-15(9-16)11-19-10-14-5-7-18-8-6-14;/h2-9,19H,10-12H2,1H3,(H2,17,20);1H
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| InChIKey |
YGEHXWYJVOTJII-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