General Information of the Compound
| Compound ID |
CP0302709
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| Compound Name |
1-(Cyanomethylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-[(4-methoxy)-phenyl]-2-imidazolidinone
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| Structure |
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| Formula |
C21H24N4O5S
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| Molecular Weight |
444.513
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| Canonical SMILES |
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)CC#N)C2=O)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C21H24N4O5S/c1-29-18-7-3-16(4-8-18)11-13-24-20(17-5-9-19(30-2)10-6-17)15-25(21(24)26)23-31(27,28)14-12-22/h3-10,20,23H,11,13-15H2,1-2H3/t20-/m1/s1
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| InChIKey |
FAPNSGCVSUELJK-HXUWFJFHSA-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