General Information of the Compound
| Compound ID |
CP0446969
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| Compound Name |
2-(2,4-dichlorophenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C18H17Cl2N3O4
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| Molecular Weight |
410.257
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C18H17Cl2N3O4/c19-13-5-6-17(14(20)11-13)27-12-18(24)22-9-7-21(8-10-22)15-3-1-2-4-16(15)23(25)26/h1-6,11H,7-10,12H2
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| InChIKey |
PUUYEKICOFIHQN-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