General Information of the Compound
| Compound ID |
CP0577253
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| Compound Name |
N-(2-amino-5-phenylphenyl)-5-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C31H23F3N6O2S
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| Molecular Weight |
600.626
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
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| InChI |
InChI=1S/C31H23F3N6O2S/c1-30(2)28(42)39(21-10-8-20(16-35)23(15-21)31(32,33)34)29(43)40(30)22-11-13-25(37-17-22)27(41)38-26-14-19(9-12-24(26)36)18-6-4-3-5-7-18/h3-15,17H,36H2,1-2H3,(H,38,41)
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| InChIKey |
JXRMYVJWPGPVDI-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