General Information of the Compound
| Compound ID |
CP0496859
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| Compound Name |
12-methyl-6,7-dihydro-12H-5-thia-12-aza-dibenzo[a,e]azulen-10-ol
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| Structure |
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| Formula |
C17H15NOS
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| Molecular Weight |
281.38
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| Canonical SMILES |
Cn1c-2c(CCSc3ccccc-23)c2ccc(O)cc12
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| InChI |
InChI=1S/C17H15NOS/c1-18-15-10-11(19)6-7-12(15)13-8-9-20-16-5-3-2-4-14(16)17(13)18/h2-7,10,19H,8-9H2,1H3
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| InChIKey |
MYTWZEUCXJEBME-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