General Information of the Compound
| Compound ID |
CP0676856
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| Compound Name |
(S)-N-(1-(2-(1-Methylpyrrolidin-2-yl)ethyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C21H30Cl2N4S
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| Molecular Weight |
441.472
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| Canonical SMILES |
CN1CCC[C@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl
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| InChI |
InChI=1S/C21H28N4S.2ClH/c1-24-11-3-6-18(24)10-13-25-12-2-5-16-15-17(8-9-19(16)25)23-21(22)20-7-4-14-26-20;;/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3,(H2,22,23);2*1H/t18-;;/m0../s1
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| InChIKey |
FDNWQXLEXJHDHG-NTEVMMBTSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2