General Information of the Compound
| Compound ID |
CP0504249
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| Compound Name |
3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]propylurea
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| Structure |
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| Formula |
C17H18F3N5O2S
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| Molecular Weight |
413.425
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| Canonical SMILES |
CC1(C)N(CCCNC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N5O2S/c1-16(2)13(26)25(15(28)24(16)7-3-6-23-14(22)27)11-5-4-10(9-21)12(8-11)17(18,19)20/h4-5,8H,3,6-7H2,1-2H3,(H3,22,23,27)
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| InChIKey |
NMUNEMBHFZAION-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