General Information of the Compound
| Compound ID |
CP0578706
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| Compound Name |
3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
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| Structure |
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| Formula |
C17H15N3S
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| Molecular Weight |
293.395
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| Canonical SMILES |
Cc1ccccc1CSc1ccc(nn1)-c1ccccn1
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| InChI |
InChI=1S/C17H15N3S/c1-13-6-2-3-7-14(13)12-21-17-10-9-16(19-20-17)15-8-4-5-11-18-15/h2-11H,12H2,1H3
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| InChIKey |
DUUQLWDHNYFUPP-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