General Information of the Compound
| Compound ID |
CP0382491
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| Compound Name |
N-[2-(1,3-benzodioxol-5-yl)ethyl]-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 |
C18H22N6O2S
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| Molecular Weight |
386.481
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| Canonical SMILES |
CN(CCCNCCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
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| InChI |
InChI=1S/C18H22N6O2S/c1-23(18-21-17(22-27-18)24-10-8-20-12-24)9-2-6-19-7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,8,10-12,19H,2,5-7,9,13H2,1H3
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| InChIKey |
JSASQCYGFSWXTP-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