General Information of the Compound
| Compound ID |
CP0383617
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| Compound Name |
1-[1-(4-phenylphenoxy)-4-pyridin-4-ylbutan-2-yl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C11H8I2N2O3
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| Molecular Weight |
470.004
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| Canonical SMILES |
ONC(=O)c1cc(I)c(c(I)c1O)-n1cccc1
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| InChI |
InChI=1S/C25H24N2O3/c28-24-12-13-25(29)27(24)22(9-6-19-14-16-26-17-15-19)18-30-23-10-7-21(8-11-23)20-4-2-1-3-5-20/h1-5,7-8,10-11,14-17,22H,6,9,12-13,18H2
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| InChIKey |
KICAPRIDENNFTR-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