General Information of the Compound
| Compound ID |
CP0274555
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| Compound Name |
3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)-phenoxy]-propionic acid
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| Structure |
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| Formula |
C26H22O7
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| Molecular Weight |
446.455
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| Canonical SMILES |
OC(=O)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
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| InChI |
InChI=1S/C26H22O7/c27-16-4-8-21-22(13-16)32-11-9-20-19-7-3-17(28)14-23(19)33-26(25(20)21)15-1-5-18(6-2-15)31-12-10-24(29)30/h1-8,13-14,26-28H,9-12H2,(H,29,30)/t26-/m1/s1
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| InChIKey |
RWWFDZJGSZMIEY-AREMUKBSSA-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