General Information of the Compound
| Compound ID |
CP0372516
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| Compound Name |
N-[(3,4-difluorophenyl)methyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine
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| Structure |
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| Formula |
C16H18F2N6S
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| Molecular Weight |
364.425
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| Canonical SMILES |
CN(CCCNCc1ccc(F)c(F)c1)c1nc(ns1)-n1ccnc1
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| InChI |
InChI=1S/C16H18F2N6S/c1-23(16-21-15(22-25-16)24-8-6-20-11-24)7-2-5-19-10-12-3-4-13(17)14(18)9-12/h3-4,6,8-9,11,19H,2,5,7,10H2,1H3
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| InChIKey |
RYKMTOYFGWGGEU-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