General Information of the Compound
| Compound ID |
CP0852634
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| Compound Name |
2-(1-(Hydroxymethyl)cyclopropanecarboxamido)-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C17H24N2O4S
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| Molecular Weight |
352.456
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| Canonical SMILES |
CC1(C)Cc2c(sc(NC(=O)C3(CO)CC3)c2C(N)=O)C(C)(C)O1
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| InChI |
InChI=1S/C17H24N2O4S/c1-15(2)7-9-10(12(18)21)13(24-11(9)16(3,4)23-15)19-14(22)17(8-20)5-6-17/h20H,5-8H2,1-4H3,(H2,18,21)(H,19,22)
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| InChIKey |
NSOMEXTZFRFPTE-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