General Information of the Compound
| Compound ID |
CP0940689
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| Compound Name |
N-(1-(3-((1-ethylpyrrolidin-2-yl)methylamino)propyl)-1H-indol-5-yl)thiophene-2-carboximidamide trihydrochloride
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| Structure |
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| Formula |
C23H32ClN5S
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| Molecular Weight |
446.064
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| Canonical SMILES |
CCN1CCCC1CNCCCn1ccc2cc(NC(=N)c3cccs3)ccc21.Cl
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| InChI |
InChI=1S/C23H31N5S.ClH/c1-2-27-12-3-6-20(27)17-25-11-5-13-28-14-10-18-16-19(8-9-21(18)28)26-23(24)22-7-4-15-29-22;/h4,7-10,14-16,20,25H,2-3,5-6,11-13,17H2,1H3,(H2,24,26);1H
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| InChIKey |
SSKWJFYCGDGNIT-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