General Information of the Compound
| Compound ID |
CP0049276
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| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
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| Structure |
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| Formula |
C21H23Cl2FN4O2
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| Molecular Weight |
453.345
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| Canonical SMILES |
CN1CCN(CC1)C(CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1Cl
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| InChI |
InChI=1S/C21H23Cl2FN4O2/c1-27-8-10-28(11-9-27)19(15-4-2-3-5-16(15)22)13-25-20(29)21(30)26-14-6-7-17(23)18(24)12-14/h2-7,12,19H,8-11,13H2,1H3,(H,25,29)(H,26,30)
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| InChIKey |
AIGGFHNJPGSTAW-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