General Information of the Compound
| Compound ID |
CP0498153
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| Compound Name |
2-Pentadeca-1,3,6-trienylsulfanyl-benzoic acid methyl ester
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| Structure |
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| Formula |
C23H32O2S
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| Molecular Weight |
372.574
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| Canonical SMILES |
CCCCCCCC\C=C/C\C=C/C=C/Sc1ccccc1C(=O)OC
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| InChI |
InChI=1S/C23H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22-19-16-15-18-21(22)23(24)25-2/h10-11,13-20H,3-9,12H2,1-2H3/b11-10-,14-13-,20-17+
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| InChIKey |
VLXDRZKBFBJYTB-ALMRBCHNSA-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