General Information of the Compound
| Compound ID |
CP0299506
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| Compound Name |
3-Methoxy-5,6,7,8-tetrahydro-10-thia-8-aza-benzo[a]azulen-9-one
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| Structure |
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| Formula |
C13H13NO2S
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| Molecular Weight |
247.319
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| Canonical SMILES |
COc1ccc2sc3c(CCCNC3=O)c2c1
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| InChI |
InChI=1S/C13H13NO2S/c1-16-8-4-5-11-10(7-8)9-3-2-6-14-13(15)12(9)17-11/h4-5,7H,2-3,6H2,1H3,(H,14,15)
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| InChIKey |
BZQVWTDKMSTNBU-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