General Information of the Compound
| Compound ID |
CP0458560
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| Compound Name |
2-[4,4-dimethyl-7-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3H-chromeno[3,4-d]imidazol-2-yl]benzene-1,3-dicarbonitrile
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| Structure |
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| Formula |
C29H17F3N4O
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| Molecular Weight |
494.476
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(cccc1C#N)C#N)C#Cc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C29H17F3N4O/c1-28(2)26-25(35-27(36-26)24-19(15-33)7-5-8-20(24)16-34)21-13-11-17(14-23(21)37-28)10-12-18-6-3-4-9-22(18)29(30,31)32/h3-9,11,13-14H,1-2H3,(H,35,36)
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| InChIKey |
BNKLZAHWDNTRKU-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