General Information of the Compound
| Compound ID |
CP0377593
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| Compound Name |
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]phenyl]acetic acid
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| Structure |
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| Formula |
C22H26O2S
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| Molecular Weight |
354.515
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(Sc3ccc(CC(O)=O)cc3)ccc12
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| InChI |
InChI=1S/C22H26O2S/c1-21(2)11-12-22(3,4)19-14-17(9-10-18(19)21)25-16-7-5-15(6-8-16)13-20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)
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| InChIKey |
BTDWGEWFAMYFFS-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
Protein ID: PT02999, Cytochrome P450 26A1
Protein ID: PT06165, Cytochrome P450 26B1