General Information of the Compound
| Compound ID |
CP0820631
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| Compound Name |
SID50105998
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| Structure |
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| Formula |
C10H12O4
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| Molecular Weight |
196.202
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| Canonical SMILES |
CC12C(=O)OC(=O)C1(C)C1CCC2O1
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| InChI |
InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3
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| InChIKey |
DHZBEENLJMYSHQ-UHFFFAOYSA-N
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| CAS |
80558-50-5
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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