General Information of the Compound
| Compound ID |
CP0467582
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| Compound Name |
3-Pentadeca-1,3-dien-6-ynylsulfanyl-benzoic acid methyl ester
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| Structure |
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| Formula |
C23H30O2S
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| Molecular Weight |
370.558
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| Canonical SMILES |
CCCCCCCCC#CC\C=C/C=C/Sc1cccc(c1)C(=O)OC
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| InChI |
InChI=1S/C23H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-22-18-16-17-21(20-22)23(24)25-2/h13-20H,3-9,12H2,1-2H3/b14-13-,19-15+
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| InChIKey |
RVYVEFPIDDSYLV-GCYSJDCNSA-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