General Information of the Compound
| Compound ID |
CP0453170
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| Compound Name |
dimethyl 2-(cyclohexylmethylidene)propanedioate
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| Structure |
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| Formula |
C12H18O4
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| Molecular Weight |
226.272
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| Canonical SMILES |
COC(=O)C(=CC1CCCCC1)C(=O)OC
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| InChI |
InChI=1S/C12H18O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
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| InChIKey |
BHXIMVYAOCEUAI-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