General Information of the Compound
| Compound ID |
CP0469985
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| Compound Name |
N-(2-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C16H12ClF3N2O3S
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| Molecular Weight |
404.797
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| Canonical SMILES |
FC(F)(F)C(=O)Nc1sc2COCCc2c1C(=O)Nc1ccccc1Cl
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| InChI |
InChI=1S/C16H12ClF3N2O3S/c17-9-3-1-2-4-10(9)21-13(23)12-8-5-6-25-7-11(8)26-14(12)22-15(24)16(18,19)20/h1-4H,5-7H2,(H,21,23)(H,22,24)
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| InChIKey |
NCNUAMQSUDRAIH-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