General Information of the Compound
| Compound ID |
CP0147645
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| Compound Name |
4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dithiolan-2-yl]-benzoic acid
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| Structure |
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| Formula |
C24H28O2S2
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| Molecular Weight |
412.62
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H28O2S2/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
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| InChIKey |
NWFLPURWUQNLIV-UHFFFAOYSA-N
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| CAS |
146670-37-3
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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