General Information of the Compound
| Compound ID |
CP0890488
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| Compound Name |
2-(2-hydroxybenzamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C17H18N2O4S
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| Molecular Weight |
346.408
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| Canonical SMILES |
CC1(C)Cc2c(sc(NC(=O)c3ccccc3O)c2C(N)=O)CO1
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| InChI |
InChI=1S/C17H18N2O4S/c1-17(2)7-10-12(8-23-17)24-16(13(10)14(18)21)19-15(22)9-5-3-4-6-11(9)20/h3-6,20H,7-8H2,1-2H3,(H2,18,21)(H,19,22)
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| InChIKey |
MUEUFQJSFAIBML-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