General Information of the Compound
| Compound ID |
CP0853299
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| Compound Name |
N-(1-(1-Methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C20H28Cl2N4S
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| Molecular Weight |
427.445
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| Canonical SMILES |
CN1CCC(N2CCCc3cc(NC(=N)c4cccs4)ccc32)CC1.Cl.Cl
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| InChI |
InChI=1S/C20H26N4S.2ClH/c1-23-11-8-17(9-12-23)24-10-2-4-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19;;/h3,5-7,13-14,17H,2,4,8-12H2,1H3,(H2,21,22);2*1H
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| InChIKey |
SXTUVGROIIVATB-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