General Information of the Compound
| Compound ID |
CP0526353
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| Compound Name |
2-methyl-4-[4-(4-methylthiophen-2-yl)heptan-4-yl]phenol
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| Structure |
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| Formula |
C19H26OS
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| Molecular Weight |
302.483
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| Canonical SMILES |
CCCC(CCC)(c1cc(C)cs1)c1ccc(O)c(C)c1
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| InChI |
InChI=1S/C19H26OS/c1-5-9-19(10-6-2,18-11-14(3)13-21-18)16-7-8-17(20)15(4)12-16/h7-8,11-13,20H,5-6,9-10H2,1-4H3
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| InChIKey |
FFJUQUNCNTYEEQ-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