General Information of the Compound
| Compound ID |
CP0457475
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| Compound Name |
3-[(1E)-1-[8-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-1-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 |
C28H21ClFN5O3
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| Molecular Weight |
529.959
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| Canonical SMILES |
C\C(c1noc(=O)[nH]1)=C1\c2ccc(Cn3c(nc4c(Cl)nccc34)C3CC3)cc2COc2cc(F)ccc12
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| InChI |
InChI=1S/C28H21ClFN5O3/c1-14(26-33-28(36)38-34-26)23-19-6-2-15(10-17(19)13-37-22-11-18(30)5-7-20(22)23)12-35-21-8-9-31-25(29)24(21)32-27(35)16-3-4-16/h2,5-11,16H,3-4,12-13H2,1H3,(H,33,34,36)/b23-14+
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| InChIKey |
NUPZFGWAEISNLL-OEAKJJBVSA-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