General Information of the Compound
| Compound ID |
CP0867185
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| Compound Name |
7-[2,6-Dimethylbenzyloxy]-4-[4-(1-hydroxy-1-methylethyl)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C29H28O4
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| Molecular Weight |
440.539
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| Canonical SMILES |
Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(C)(C)O)cc3)cc(C(=O)O)cc2c1
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| InChI |
InChI=1S/C29H28O4/c1-18-6-5-7-19(2)27(18)17-33-24-12-13-25-21(15-24)14-22(28(30)31)16-26(25)20-8-10-23(11-9-20)29(3,4)32/h5-16,32H,17H2,1-4H3,(H,30,31)
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| InChIKey |
SWFJMBUUVKRSMF-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