General Information of the Compound
Compound ID |
CP0555139
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Compound Name |
4-methyl-2-[(E)-[(1S,5R)-4-methyl-3-oxo-1-propan-2-yl-2-bicyclo[3.1.0]hexanylidene]methoxy]-2H-furan-5-one
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Structure |
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Formula |
C16H20O4
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Molecular Weight |
276.332
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Canonical SMILES |
CC(C)[C@@]12C[C@@H]1C(C)C(=O)\C2=C\OC1OC(=O)C(C)=C1
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InChI |
InChI=1S/C16H20O4/c1-8(2)16-6-11(16)10(4)14(17)12(16)7-19-13-5-9(3)15(18)20-13/h5,7-8,10-11,13H,6H2,1-4H3/b12-7-/t10?,11-,13?,16+/m1/s1
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InChIKey |
CCNBEWRGXAAFLT-ITSKXREKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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