General Information of the Compound
| Compound ID |
CP0495182
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| Compound Name |
(3-Ethoxy-5-isothiazol-3-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
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| Structure |
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| Formula |
C16H16N4OS
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| Molecular Weight |
312.398
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| Canonical SMILES |
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccsn1
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| InChI |
InChI=1S/C16H16N4OS/c1-3-21-14-9-12(13-7-8-22-20-13)10-17-16(14)19-15-6-4-5-11(2)18-15/h4-10H,3H2,1-2H3,(H,17,18,19)
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| InChIKey |
LOMSLDJIIXJYGF-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