General Information of the Compound
| Compound ID |
CP0391625
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| Compound Name |
3-[(1E)-1-[8-[(2-cyclopropyl-7-fluoroimidazo[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 |
C29H22F2N4O3
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| Molecular Weight |
512.516
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| Canonical SMILES |
C\C(c1noc(=O)[nH]1)=C1\c2ccc(Cc3c(nc4cc(F)ccn34)C3CC3)cc2COc2cc(F)ccc12
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| InChI |
InChI=1S/C29H22F2N4O3/c1-15(28-33-29(36)38-34-28)26-21-6-2-16(10-18(21)14-37-24-12-19(30)5-7-22(24)26)11-23-27(17-3-4-17)32-25-13-20(31)8-9-35(23)25/h2,5-10,12-13,17H,3-4,11,14H2,1H3,(H,33,34,36)/b26-15+
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| InChIKey |
QYYKQKYNIQLGNT-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