General Information of the Compound
| Compound ID |
CP0579748
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| Compound Name |
N-(2-amino-5-phenylphenyl)-4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
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| Structure |
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| Formula |
C32H24F3N5O2S
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| Molecular Weight |
599.638
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
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| InChI |
InChI=1S/C32H24F3N5O2S/c1-31(2)29(42)39(24-14-10-22(18-36)25(17-24)32(33,34)35)30(43)40(31)23-12-8-20(9-13-23)28(41)38-27-16-21(11-15-26(27)37)19-6-4-3-5-7-19/h3-17H,37H2,1-2H3,(H,38,41)
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| InChIKey |
YTAMGIWDCVLZAA-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