General Information of the Compound
| Compound ID |
CP0299507
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| Compound Name |
(R)-3-Hydroxy-7-methyl-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 |
C[C@@H]1CNc2c(sc3ccc(O)cc23)C(=O)N1
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| InChI |
InChI=1S/C12H12N2O2S/c1-6-5-13-10-8-4-7(15)2-3-9(8)17-11(10)12(16)14-6/h2-4,6,13,15H,5H2,1H3,(H,14,16)/t6-/m1/s1
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| InChIKey |
GWODBBFDCZIKBY-ZCFIWIBFSA-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