General Information of the Compound
| Compound ID |
CP0504876
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| Compound Name |
[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl] 4-(3-methoxyphenyl)benzoate
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| Structure |
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| Formula |
C25H24O5
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| Molecular Weight |
404.462
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(cc1)C(=O)Oc1ccc2CC(Oc2c1)C(C)(C)O
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| InChI |
InChI=1S/C25H24O5/c1-25(2,27)23-14-19-11-12-21(15-22(19)30-23)29-24(26)17-9-7-16(8-10-17)18-5-4-6-20(13-18)28-3/h4-13,15,23,27H,14H2,1-3H3
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| InChIKey |
FMQPLBJAVRZZGO-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