General Information of the Compound
| Compound ID |
CP0881067
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| Compound Name |
(+/-)-4-[2,5-Dioxo-4-hydroxymethyl-3-methyl-4-(3-methylphenyl)imidazolidin-1-yl]-2-trifluoromethylbenzonitrile
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| Structure |
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| Formula |
C20H16F3N3O3
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| Molecular Weight |
403.36
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| Canonical SMILES |
Cc1cccc(C2(CO)C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)N2C)c1
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| InChI |
InChI=1S/C20H16F3N3O3/c1-12-4-3-5-14(8-12)19(11-27)17(28)26(18(29)25(19)2)15-7-6-13(10-24)16(9-15)20(21,22)23/h3-9,27H,11H2,1-2H3
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| InChIKey |
PONWCDNXABYQOR-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