General Information of the Compound
| Compound ID |
CP0468897
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| Compound Name |
3-[(1E)-1-[8-[[7-chloro-2-(methoxymethyl)imidazo[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 |
C28H22ClFN4O4
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| Molecular Weight |
532.959
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| Canonical SMILES |
COCc1nc2cc(Cl)ccn2c1Cc1ccc2c(COc3cc(F)ccc3\C2=C(/C)c2noc(=O)[nH]2)c1
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| InChI |
InChI=1S/C28H22ClFN4O4/c1-15(27-32-28(35)38-33-27)26-20-5-3-16(9-17(20)13-37-24-12-19(30)4-6-21(24)26)10-23-22(14-36-2)31-25-11-18(29)7-8-34(23)25/h3-9,11-12H,10,13-14H2,1-2H3,(H,32,33,35)/b26-15+
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| InChIKey |
QZNUPRHBNYAKDD-CVKSISIWSA-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