General Information of the Compound
| Compound ID |
CP0851758
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| Compound Name |
N-(2-Oxo-1-(2-(piperidin-1-yl)ethyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C21H28Cl2N4OS
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| Molecular Weight |
455.455
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(c1)CCC(=O)N2CCN1CCCCC1)c1cccs1
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| InChI |
InChI=1S/C21H26N4OS.2ClH/c22-21(19-5-4-14-27-19)23-17-7-8-18-16(15-17)6-9-20(26)25(18)13-12-24-10-2-1-3-11-24;;/h4-5,7-8,14-15H,1-3,6,9-13H2,(H2,22,23);2*1H
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| InChIKey |
IGZUNPWULZKGHG-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