General Information of the Compound
| Compound ID |
CP0868523
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| Compound Name |
methyl 3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ylcarbamimidothioate dihydrochloride
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| Structure |
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| Formula |
C16H22Cl2N4S
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| Molecular Weight |
373.353
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| Canonical SMILES |
CSC(=N)Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.Cl.Cl
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| InChI |
InChI=1S/C16H20N4S.2ClH/c1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2;;/h3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19);2*1H
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| InChIKey |
CINUDKWNXFXLOI-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