General Information of the Compound
Compound ID |
CP0410980
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Compound Name |
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
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Structure |
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Formula |
C16H18Cl2N2O3
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Molecular Weight |
357.237
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Canonical SMILES |
CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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InChI |
InChI=1S/C16H18Cl2N2O3/c1-2-20-9-11(14(21)16(20)23)15(22)19-7-3-4-10-5-6-12(17)13(18)8-10/h5-6,8,21H,2-4,7,9H2,1H3,(H,19,22)
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InChIKey |
XSAYCGVVGASIFW-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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