General Information of the Compound
| Compound ID |
CP0446979
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| Compound Name |
4-(2,4-dichlorophenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
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| Structure |
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| Formula |
C20H21Cl2N3O4
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| Molecular Weight |
438.311
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCCOc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C20H21Cl2N3O4/c21-15-3-8-19(18(22)14-15)29-13-1-2-20(26)24-11-9-23(10-12-24)16-4-6-17(7-5-16)25(27)28/h3-8,14H,1-2,9-13H2
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| InChIKey |
UHIXKYFUSYYACL-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