General Information of the Compound
| Compound ID |
CP0413813
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| Compound Name |
N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
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| Structure |
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| Formula |
C22H26ClN3O2
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| Molecular Weight |
399.922
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| Canonical SMILES |
CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H26ClN3O2/c1-16(2)20(24-21(27)17-6-4-3-5-7-17)22(28)26-14-12-25(13-15-26)19-10-8-18(23)9-11-19/h3-11,16,20H,12-15H2,1-2H3,(H,24,27)
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| InChIKey |
SIPFGQYBFGYOIK-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