General Information of the Compound
| Compound ID |
CP0410979
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| Compound Name |
N-[3-(3,4-dichlorophenyl)propyl]-2-(2,2-dimethylpropyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C20H26Cl2N2O3
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| Molecular Weight |
413.345
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| Canonical SMILES |
CN1C(CC(C)(C)C)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C20H26Cl2N2O3/c1-20(2,3)11-15-16(17(25)19(27)24(15)4)18(26)23-9-5-6-12-7-8-13(21)14(22)10-12/h7-8,10,15,25H,5-6,9,11H2,1-4H3,(H,23,26)
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| InChIKey |
BONIRPMJEKDABR-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