General Information of the Compound
| Compound ID |
CP0667050
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| Compound Name |
rac-4-[2,5-dioxo-4-(4-hydroxyphenyl)-4-methyl-3-(2-propenyl)imidazolidin-1-yl]-2-trifluoromethylbenzonitrile
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| Structure |
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| Formula |
C21H16F3N3O3
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| Molecular Weight |
415.371
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| Canonical SMILES |
C=CCN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)c1ccc(O)cc1
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| InChI |
InChI=1S/C21H16F3N3O3/c1-3-10-26-19(30)27(15-7-4-13(12-25)17(11-15)21(22,23)24)18(29)20(26,2)14-5-8-16(28)9-6-14/h3-9,11,28H,1,10H2,2H3
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| InChIKey |
JTZBUKCUXBESPP-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