General Information of the Compound
| Compound ID |
CP0465831
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| Compound Name |
3-Methylbenzyl 3''-Methylbenzoate
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| Structure |
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| Formula |
C16H16O2
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| Molecular Weight |
240.302
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| Canonical SMILES |
Cc1cccc(COC(=O)c2cccc(C)c2)c1
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| InChI |
InChI=1S/C16H16O2/c1-12-5-3-7-14(9-12)11-18-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
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| InChIKey |
VGHPXBXYVQDCBF-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