General Information of the Compound
| Compound ID |
CP0957887
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| Compound Name |
(+/-)-4-[4-(2,5-Dioxo-4-fluorophenyl)-4-hydroxymethyl-3-methylimidazolidin-1-yl]-2-trifluoromethylbenzonitrile
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| Structure |
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| Formula |
C19H13F4N3O3
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| Molecular Weight |
407.323
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| Canonical SMILES |
CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H13F4N3O3/c1-25-17(29)26(14-7-2-11(9-24)15(8-14)19(21,22)23)16(28)18(25,10-27)12-3-5-13(20)6-4-12/h2-8,27H,10H2,1H3
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| InChIKey |
PUJHVJGPYXFNSZ-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