General Information of the Compound
| Compound ID |
CP0167552
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| Compound Name |
(S)-7-Hydroxymethyl-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 |
C13H14N2O3S
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| Molecular Weight |
278.333
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| Canonical SMILES |
COc1ccc2sc3c(NC[C@@H](CO)NC3=O)c2c1
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| InChI |
InChI=1S/C13H14N2O3S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)15-7(6-16)5-14-11/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)/t7-/m0/s1
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| InChIKey |
DXXJDEVFDVVIGG-ZETCQYMHSA-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