General Information of the Compound
| Compound ID |
CP0467726
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| Compound Name |
3-[(1E)-1-[8-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C29H27N5O3
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| Molecular Weight |
493.567
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| Canonical SMILES |
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)c1
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| InChI |
InChI=1S/C29H27N5O3/c1-5-24-31-26-16(2)12-17(3)30-28(26)34(24)14-19-10-11-21-20(13-19)15-36-23-9-7-6-8-22(23)25(21)18(4)27-32-29(35)37-33-27/h6-13H,5,14-15H2,1-4H3,(H,32,33,35)/b25-18+
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| InChIKey |
ARLYERVLXSKRKH-XIEYBQDHSA-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