General Information of the Compound
| Compound ID |
CP0086945
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| Compound Name |
1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
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| Structure |
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| Formula |
C21H22ClN3OS
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| Molecular Weight |
399.947
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| Canonical SMILES |
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc2ccccc2s1
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| InChI |
InChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3
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| InChIKey |
LOCFLSUOTBZXEU-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