General Information of the Compound
| Compound ID |
CP0057862
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| Compound Name |
3-hydroxy-1-[[4-(2-methylphenyl)phenyl]methyl]pyridine-2-thione
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| Structure |
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| Formula |
C19H17NOS
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| Molecular Weight |
307.418
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| Canonical SMILES |
Cc1ccccc1-c1ccc(Cn2cccc(O)c2=S)cc1
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| InChI |
InChI=1S/C19H17NOS/c1-14-5-2-3-6-17(14)16-10-8-15(9-11-16)13-20-12-4-7-18(21)19(20)22/h2-12,21H,13H2,1H3
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| InChIKey |
DOHFVNLRXRZBSF-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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Table of Molecular Bioactivities Related to the Compound