General Information of the Compound
| Compound ID |
CP0562957
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| Compound Name |
1-[2-[4-[7-hydroxy-3-(4-hydroxyphenyl)-1-oxoisochromene-4-carbonyl]phenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C28H21NO8
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| Molecular Weight |
499.475
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| Canonical SMILES |
Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2C(=O)CCC2=O)cc1
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| InChI |
InChI=1S/C28H21NO8/c30-18-5-1-17(2-6-18)27-25(21-10-7-19(31)15-22(21)28(35)37-27)26(34)16-3-8-20(9-4-16)36-14-13-29-23(32)11-12-24(29)33/h1-10,15,30-31H,11-14H2
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| InChIKey |
SJMGCXWKUIFYIG-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