General Information of the Compound
| Compound ID |
CP0868522
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| Compound Name |
N-((3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl)methyl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C20H24Cl2N4S
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| Molecular Weight |
423.413
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| Canonical SMILES |
CN1CC=C(c2c[nH]c3ccc(CNC(=N)c4cccs4)cc23)CC1.Cl.Cl
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| InChI |
InChI=1S/C20H22N4S.2ClH/c1-24-8-6-15(7-9-24)17-13-22-18-5-4-14(11-16(17)18)12-23-20(21)19-3-2-10-25-19;;/h2-6,10-11,13,22H,7-9,12H2,1H3,(H2,21,23);2*1H
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| InChIKey |
MOCMFFAVENQNJE-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