General Information of the Compound
| Compound ID |
CP0407240
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| Compound Name |
2-[4,4-dimethyl-7-(2-phenylethynyl)-3H-chromeno[3,4-d]imidazol-2-yl]benzene-1,3-dicarbonitrile
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| Structure |
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| Formula |
C28H18N4O
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| Molecular Weight |
426.479
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2[nH]c(nc12)-c1c(cccc1C#N)C#N)C#Cc1ccccc1
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| InChI |
InChI=1S/C28H18N4O/c1-28(2)26-25(31-27(32-26)24-20(16-29)9-6-10-21(24)17-30)22-14-13-19(15-23(22)33-28)12-11-18-7-4-3-5-8-18/h3-10,13-15H,1-2H3,(H,31,32)
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| InChIKey |
KWGRFWLONFKHFS-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