General Information of the Compound
| Compound ID |
CP0868524
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| Compound Name |
5-methyl-N-(3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl)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 |
Cc1ccc(C(=N)Nc2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)s1.Cl.Cl
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| InChI |
InChI=1S/C20H22N4S.2ClH/c1-13-3-6-19(25-13)20(21)23-15-4-5-18-16(11-15)17(12-22-18)14-7-9-24(2)10-8-14;;/h3-7,11-12,22H,8-10H2,1-2H3,(H2,21,23);2*1H
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| InChIKey |
HXVBFOHCYXIURN-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