General Information of the Compound
| Compound ID |
CP0871043
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| Compound Name |
N-(1-(3-(methylamino)propyl)-1H-indol-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C17H22Cl2N4S
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| Molecular Weight |
385.364
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| Canonical SMILES |
CNCCCn1ccc2ccc(NC(=N)c3cccs3)cc21.Cl.Cl
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| InChI |
InChI=1S/C17H20N4S.2ClH/c1-19-8-3-9-21-10-7-13-5-6-14(12-15(13)21)20-17(18)16-4-2-11-22-16;;/h2,4-7,10-12,19H,3,8-9H2,1H3,(H2,18,20);2*1H
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| InChIKey |
PVBANWMNAHOLJS-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