General Information of the Compound
| Compound ID |
CP0457604
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| Compound Name |
2-[7-[2-[2-fluoro-6-(trifluoromethyl)phenyl]ethynyl]-4,4-dimethyl-3H-chromeno[3,4-d]imidazol-2-yl]benzene-1,3-dicarbonitrile
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| Structure |
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| Formula |
C29H16F4N4O
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| Molecular Weight |
512.466
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(cccc1C#N)C#N)C#Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C29H16F4N4O/c1-28(2)26-25(36-27(37-26)24-17(14-34)5-3-6-18(24)15-35)20-12-10-16(13-23(20)38-28)9-11-19-21(29(31,32)33)7-4-8-22(19)30/h3-8,10,12-13H,1-2H3,(H,36,37)
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| InChIKey |
OAWIOKJTCUEUDK-UHFFFAOYSA-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