General Information of the Compound
| Compound ID |
CP0524736
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| Compound Name |
(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 3,4-bis(phenylmethoxy)benzoate
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| Structure |
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| Formula |
C32H30O6
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| Molecular Weight |
510.586
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| Canonical SMILES |
CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)ccc2CC1O
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| InChI |
InChI=1S/C32H30O6/c1-32(2)30(33)18-24-13-15-26(19-28(24)38-32)37-31(34)25-14-16-27(35-20-22-9-5-3-6-10-22)29(17-25)36-21-23-11-7-4-8-12-23/h3-17,19,30,33H,18,20-21H2,1-2H3
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| InChIKey |
HSHUMHACZMAJDJ-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