General Information of the Compound
| Compound ID |
CP0457474
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| Compound Name |
3-[(1E)-1-[4-fluoro-8-[(2-propylbenzimidazol-1-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 |
C29H25FN4O3
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| Molecular Weight |
496.542
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| Canonical SMILES |
CCCc1nc2ccccc2n1Cc1ccc2c(COc3c(F)cccc3\C2=C(/C)c2noc(=O)[nH]2)c1
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| InChI |
InChI=1S/C29H25FN4O3/c1-3-7-25-31-23-10-4-5-11-24(23)34(25)15-18-12-13-20-19(14-18)16-36-27-21(8-6-9-22(27)30)26(20)17(2)28-32-29(35)37-33-28/h4-6,8-14H,3,7,15-16H2,1-2H3,(H,32,33,35)/b26-17+
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| InChIKey |
BDFGSBMZSWGCQA-YZSQISJMSA-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