General Information of the Compound
| Compound ID |
CP0873763
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| Compound Name |
cis-(+/-)-N-(3-(3-(methylamino)cyclohexyl)-1H-indol-5-yl)thiophene-2-carboximidamide hydrochloride
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| Structure |
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| Formula |
C20H25ClN4S
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| Molecular Weight |
388.968
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| Canonical SMILES |
CN[C@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl
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| InChI |
InChI=1S/C20H24N4S.ClH/c1-22-14-5-2-4-13(10-14)17-12-23-18-8-7-15(11-16(17)18)24-20(21)19-6-3-9-25-19;/h3,6-9,11-14,22-23H,2,4-5,10H2,1H3,(H2,21,24);1H/t13-,14+;/m1./s1
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| InChIKey |
DZWCPJPFRNJGMB-DFQHDRSWSA-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter