General Information of the Compound
| Compound ID |
CP0538676
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| Compound Name |
methyl 3-(2,4,5-trimethylphenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
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| Structure |
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| Formula |
C18H22O2
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| Molecular Weight |
270.372
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| Canonical SMILES |
COC(=O)C1=C(C2CCC1C2)c1cc(C)c(C)cc1C
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| InChI |
InChI=1S/C18H22O2/c1-10-7-12(3)15(8-11(10)2)16-13-5-6-14(9-13)17(16)18(19)20-4/h7-8,13-14H,5-6,9H2,1-4H3
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| InChIKey |
YIHHXEULFIHNGM-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