General Information of the Compound
| Compound ID |
CP0208108
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| Compound Name |
2-(3,5-dichlorophenoxy)-1-[4-(3-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)c1cccc(c1)N1CCN(CC1)C(=O)COc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C18H17Cl2N3O4/c19-13-8-14(20)10-17(9-13)27-12-18(24)22-6-4-21(5-7-22)15-2-1-3-16(11-15)23(25)26/h1-3,8-11H,4-7,12H2
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| InChIKey |
YBFYIGOTVSGBLQ-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