General Information of the Compound
| Compound ID |
CP0427975
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| Compound Name |
2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide
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| Structure |
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| Formula |
C25H24N2O3
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| Molecular Weight |
400.478
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| Canonical SMILES |
CCc1cc(ccc1O)-c1ccc2C(=O)C(CC(=O)NCc3cccnc3)Cc2c1
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| InChI |
InChI=1S/C25H24N2O3/c1-2-17-10-19(6-8-23(17)28)18-5-7-22-20(11-18)12-21(25(22)30)13-24(29)27-15-16-4-3-9-26-14-16/h3-11,14,21,28H,2,12-13,15H2,1H3,(H,27,29)
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| InChIKey |
LAQWQHUNZZCYEC-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