General Information of the Compound
| Compound ID |
CP0949236
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| Compound Name |
2-[(2-hydroxy-4,4-dimethyl-pentanoyl)amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C19H30N2O4S
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| Molecular Weight |
382.526
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| Canonical SMILES |
CC(C)(C)CC(O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2(C)C
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| InChI |
InChI=1S/C19H30N2O4S/c1-17(2,3)9-11(22)15(24)21-16-12(14(20)23)10-8-18(4,5)25-19(6,7)13(10)26-16/h11,22H,8-9H2,1-7H3,(H2,20,23)(H,21,24)
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| InChIKey |
RJMICFNYKBVTGB-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