General Information of the Compound
| Compound ID |
CP0439970
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| Compound Name |
N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
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| Structure |
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| Formula |
C17H22N6OS
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| Molecular Weight |
358.471
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| Canonical SMILES |
COc1ccc(CNCCCN(C)c2nc(ns2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C17H22N6OS/c1-22(17-20-16(21-25-17)23-11-9-19-13-23)10-3-8-18-12-14-4-6-15(24-2)7-5-14/h4-7,9,11,13,18H,3,8,10,12H2,1-2H3
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| InChIKey |
IPAFVGMSAVVXAZ-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