General Information of the Compound
| Compound ID |
CP0864724
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| Compound Name |
7-[(2,6-Dimethylbenzyl)oxy]-4-[4-(hydroxymethyl)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C27H24O4
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| Molecular Weight |
412.485
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| Canonical SMILES |
Cc1cccc(C)c1COc1ccc2c(-c3ccc(CO)cc3)cc(C(=O)O)cc2c1
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| InChI |
InChI=1S/C27H24O4/c1-17-4-3-5-18(2)26(17)16-31-23-10-11-24-21(13-23)12-22(27(29)30)14-25(24)20-8-6-19(15-28)7-9-20/h3-14,28H,15-16H2,1-2H3,(H,29,30)
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| InChIKey |
WRLDRVNAKVVTKN-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