General Information of the Compound
| Compound ID |
CP0539836
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| Compound Name |
4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C25H23N3O4
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| Molecular Weight |
429.476
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1CCN1CCc2c(C1)cnn2-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C25H23N3O4/c1-15-16(2-4-21-22(15)14-32-25(21)30)6-8-27-9-7-23-18(12-27)11-26-28(23)19-3-5-20-17(10-19)13-31-24(20)29/h2-5,10-11H,6-9,12-14H2,1H3
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| InChIKey |
XEBOQWLKJOOHRT-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