General Information of the Compound
| Compound ID |
CP0298570
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| Compound Name |
3-Methoxy-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
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| Structure |
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| Formula |
C12H12N2O2S
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| Molecular Weight |
248.307
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| Canonical SMILES |
COc1ccc2sc3c(NCCNC3=O)c2c1
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| InChI |
InChI=1S/C12H12N2O2S/c1-16-7-2-3-9-8(6-7)10-11(17-9)12(15)14-5-4-13-10/h2-3,6,13H,4-5H2,1H3,(H,14,15)
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| InChIKey |
YLQOELRYUQBERL-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