General Information of the Compound
| Compound ID |
CP0578493
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| Compound Name |
N-(2-aminophenyl)-4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H22F3N5O2S
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| Molecular Weight |
537.567
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| Canonical SMILES |
CC1(C)N(Cc2ccc(cc2)C(=O)Nc2ccccc2N)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H22F3N5O2S/c1-26(2)24(37)35(19-12-11-18(14-31)20(13-19)27(28,29)30)25(38)34(26)15-16-7-9-17(10-8-16)23(36)33-22-6-4-3-5-21(22)32/h3-13H,15,32H2,1-2H3,(H,33,36)
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| InChIKey |
SPHDWHDDODMVFM-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