General Information of the Compound
| Compound ID |
CP0442401
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| Compound Name |
N-[3-(diethylcarbamoyl)-4H,5H,7H-thieno[2,3-c]thiopyran-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C17H20N2O2S3
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| Molecular Weight |
380.56
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| Canonical SMILES |
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CSCCc12
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| InChI |
InChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20)
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| InChIKey |
YKRLVMAJAJTVBP-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