General Information of the Compound
| Compound ID |
CP0450539
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| Compound Name |
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
COc1cccc(c1)C(=O)N1CCN(CC1)c1nc2cc(C)cc(C)c2cc1C#N
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| InChI |
InChI=1S/C24H24N4O2/c1-16-11-17(2)21-14-19(15-25)23(26-22(21)12-16)27-7-9-28(10-8-27)24(29)18-5-4-6-20(13-18)30-3/h4-6,11-14H,7-10H2,1-3H3
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| InChIKey |
ASIDNSDTGUNFFZ-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