General Information of the Compound
| Compound ID |
CP0174028
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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]-2-fluorobenzamide
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| Structure |
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| Formula |
C26H19F4N5O2S
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| Molecular Weight |
541.53
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1
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| InChI |
InChI=1S/C26H19F4N5O2S/c1-25(2)23(37)34(15-8-7-14(13-31)18(11-15)26(28,29)30)24(38)35(25)16-9-10-17(19(27)12-16)22(36)33-21-6-4-3-5-20(21)32/h3-12H,32H2,1-2H3,(H,33,36)
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| InChIKey |
PJRDOAZAXZZNAM-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