General Information of the Compound
| Compound ID |
CP0140964
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| Compound Name |
2-[4-(4-Bromo-2-cyano-phenyl)-piperazin-1-yl]-N-(4-bromo-3-methyl-phenyl)-acetamide
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| Structure |
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| Formula |
C20H20Br2N4O
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| Molecular Weight |
492.215
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| Canonical SMILES |
Cc1cc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2C#N)ccc1Br
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| InChI |
InChI=1S/C20H20Br2N4O/c1-14-10-17(3-4-18(14)22)24-20(27)13-25-6-8-26(9-7-25)19-5-2-16(21)11-15(19)12-23/h2-5,10-11H,6-9,13H2,1H3,(H,24,27)
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| InChIKey |
XODCREZKVJXLKW-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