General Information of the Compound
| Compound ID |
CP0144787
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| Compound Name |
2,4,4-trimethylpentyl 4-(3-hydroxy-5-phenylphenyl)benzoate
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| Structure |
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| Formula |
C27H30O3
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| Molecular Weight |
402.534
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| Canonical SMILES |
CC(COC(=O)c1ccc(cc1)-c1cc(O)cc(c1)-c1ccccc1)CC(C)(C)C
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| InChI |
InChI=1S/C27H30O3/c1-19(17-27(2,3)4)18-30-26(29)22-12-10-21(11-13-22)24-14-23(15-25(28)16-24)20-8-6-5-7-9-20/h5-16,19,28H,17-18H2,1-4H3
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| InChIKey |
ZTCYLXRVDQWBSW-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