General Information of the Compound
Compound ID |
CP0420334
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Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-1-(2-fluoro-benzyl)-7-(4-nitro-phenyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
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Structure |
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Formula |
C32H29FN4O5
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Molecular Weight |
568.605
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Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(cc1)[N+]([O-])=O
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InChI |
InChI=1S/C32H29FN4O5/c1-3-42-32(39)27-20-35(19-24-11-7-8-12-28(24)33)30-17-26(23-13-15-25(16-14-23)37(40)41)29(36(30)31(27)38)21-34(2)18-22-9-5-4-6-10-22/h4-17,20H,3,18-19,21H2,1-2H3
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InChIKey |
MAEVTULPRYEOKV-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