General Information of the Compound
| Compound ID |
CP0464215
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| Compound Name |
2-(dimethylamino)-3-(4-methylphenyl)sulfanyl-naphthalene-1,4-dione
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| Structure |
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| Formula |
C19H17NO2S
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| Molecular Weight |
323.417
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| Canonical SMILES |
CN(C)C1=C(Sc2ccc(C)cc2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C19H17NO2S/c1-12-8-10-13(11-9-12)23-19-16(20(2)3)17(21)14-6-4-5-7-15(14)18(19)22/h4-11H,1-3H3
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| InChIKey |
QOHQFFNJYZABNV-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3