General Information of the Compound
| Compound ID |
CP0045959
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| Compound Name |
1-{2-[4-((S)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)-phenoxy]-ethyl}-pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C29H25NO7
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| Molecular Weight |
499.519
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| Canonical SMILES |
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
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| InChI |
InChI=1S/C29H25NO7/c31-18-4-8-23-24(15-18)36-13-11-22-21-7-3-19(32)16-25(21)37-29(28(22)23)17-1-5-20(6-2-17)35-14-12-30-26(33)9-10-27(30)34/h1-8,15-16,29,31-32H,9-14H2/t29-/m0/s1
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| InChIKey |
OFYCPZYSYANJMI-LJAQVGFWSA-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