General Information of the Compound
| Compound ID |
CP0477689
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| Compound Name |
2-(2-chloro-6-fluorophenyl)-7-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethynyl]-4,4-dimethyl-3H-chromeno[3,4-d]imidazole
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| Structure |
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| Formula |
C27H16ClF5N2O
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| Molecular Weight |
514.881
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(F)cccc1Cl)C#Cc1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H16ClF5N2O/c1-26(2)24-23(34-25(35-24)22-18(28)4-3-5-20(22)30)16-10-8-15(13-21(16)36-26)7-6-14-9-11-19(29)17(12-14)27(31,32)33/h3-5,8-13H,1-2H3,(H,34,35)
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| InChIKey |
IUAGJMRJGAELTQ-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