General Information of the Compound
| Compound ID |
CP0468896
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| Compound Name |
3-[(1E)-1-[8-[(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoro-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 |
C29H23FN4O3
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| Molecular Weight |
494.526
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| Canonical SMILES |
C\C(c1noc(=O)[nH]1)=C1\c2ccc(Cc3c(nc4ccccn34)C3CC3)cc2COc2cc(F)ccc12
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| InChI |
InChI=1S/C29H23FN4O3/c1-16(28-32-29(35)37-33-28)26-21-9-5-17(12-19(21)15-36-24-14-20(30)8-10-22(24)26)13-23-27(18-6-7-18)31-25-4-2-3-11-34(23)25/h2-5,8-12,14,18H,6-7,13,15H2,1H3,(H,32,33,35)/b26-16+
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| InChIKey |
LFRNEGDVYOWLIP-WGOQTCKBSA-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