General Information of the Compound
| Compound ID |
CP0054417
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| Compound Name |
3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a]azulen-9-one
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| Structure |
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| Formula |
C12H11NO2S2
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| Molecular Weight |
265.359
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| Canonical SMILES |
COc1ccc2sc3c(SCCNC3=O)c2c1
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| InChI |
InChI=1S/C12H11NO2S2/c1-15-7-2-3-9-8(6-7)10-11(17-9)12(14)13-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,13,14)
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| InChIKey |
KGMSYXGSYGEHIS-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