General Information of the Compound
| Compound ID |
CP0565544
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| Compound Name |
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(2-fluoro-5-nitrophenyl)methanone
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| Formula |
C24H20Cl2FN3O3
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| Molecular Weight |
488.346
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| Canonical SMILES |
[O-][N+](=O)c1ccc(F)c(c1)C(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H20Cl2FN3O3/c25-18-5-1-16(2-6-18)23(17-3-7-19(26)8-4-17)28-11-13-29(14-12-28)24(31)21-15-20(30(32)33)9-10-22(21)27/h1-10,15,23H,11-14H2
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| InChIKey |
MFSGHOMQQHIOFR-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