General Information of the Compound
| Compound ID |
CP0274556
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| Compound Name |
1-{3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)-phenoxy]-propyl}-pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C30H27NO7
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| Molecular Weight |
513.546
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| Canonical SMILES |
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C30H27NO7/c32-19-5-9-24-25(16-19)37-15-12-23-22-8-4-20(33)17-26(22)38-30(29(23)24)18-2-6-21(7-3-18)36-14-1-13-31-27(34)10-11-28(31)35/h2-9,16-17,30,32-33H,1,10-15H2/t30-/m1/s1
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| InChIKey |
BAQUULQYEAYXFF-SSEXGKCCSA-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