General Information of the Compound
| Compound ID |
CP0898980
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| Compound Name |
N-(1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indol-5-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C21H26Cl2N4S
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| Molecular Weight |
437.44
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| Canonical SMILES |
CN1C2CCC1CC(n1ccc3cc(NC(=N)c4cccs4)ccc31)C2.Cl.Cl
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| InChI |
InChI=1S/C21H24N4S.2ClH/c1-24-16-5-6-17(24)13-18(12-16)25-9-8-14-11-15(4-7-19(14)25)23-21(22)20-3-2-10-26-20;;/h2-4,7-11,16-18H,5-6,12-13H2,1H3,(H2,22,23);2*1H
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| InChIKey |
QVLGDXQDFHBRDG-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