General Information of the Compound
| Compound ID |
CP0404444
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| Compound Name |
3-Bromo-4-{3-[2-(4-dimethylamino-piperidin-1-yl)-ethyl]-benzo[b]thiophen-2-ylmethoxy}-benzonitrile
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| Structure |
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| Formula |
C25H28BrN3OS
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| Molecular Weight |
498.49
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(cc3Br)C#N)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H28BrN3OS/c1-28(2)19-9-12-29(13-10-19)14-11-21-20-5-3-4-6-24(20)31-25(21)17-30-23-8-7-18(16-27)15-22(23)26/h3-8,15,19H,9-14,17H2,1-2H3
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| InChIKey |
VMOCYNVTLKUVNT-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