General Information of the Compound
| Compound ID |
CP0663302
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| Compound Name |
4-[(5,6,7,5-tetrahydro-5,5,5,5-tetramethyl-3-ethoxy-2-naphthalenyl)(butyloxy)methyl]benzoic acid
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| Structure |
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| Formula |
C28H38O4
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| Molecular Weight |
438.608
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| Canonical SMILES |
CCCCOC(c1ccc(C(=O)O)cc1)c1cc2c(cc1OCC)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C28H38O4/c1-7-9-16-32-25(19-10-12-20(13-11-19)26(29)30)21-17-22-23(18-24(21)31-8-2)28(5,6)15-14-27(22,3)4/h10-13,17-18,25H,7-9,14-16H2,1-6H3,(H,29,30)
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| InChIKey |
AVOHYTVITKNXRN-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