General Information of the Compound
| Compound ID |
CP0853298
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| Compound Name |
N-(1-(2-(Diethylamino)ethyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C20H30Cl2N4S
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| Molecular Weight |
429.461
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| Canonical SMILES |
CCN(CC)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl
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| InChI |
InChI=1S/C20H28N4S.2ClH/c1-3-23(4-2)12-13-24-11-5-7-16-15-17(9-10-18(16)24)22-20(21)19-8-6-14-25-19;;/h6,8-10,14-15H,3-5,7,11-13H2,1-2H3,(H2,21,22);2*1H
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| InChIKey |
VGEIYSOJXISZPU-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