General Information of the Compound
| Compound ID |
CP0487107
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| Compound Name |
1-Benzyl-6-[(benzyl-methyl-amino)-methyl]-8-cyano-7-(4-methoxy-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 |
C34H32N4O4
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| Molecular Weight |
560.654
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2c(C#N)c(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H32N4O4/c1-4-42-34(40)29-22-37(21-25-13-9-6-10-14-25)32-28(19-35)31(26-15-17-27(41-3)18-16-26)30(38(32)33(29)39)23-36(2)20-24-11-7-5-8-12-24/h5-18,22H,4,20-21,23H2,1-3H3
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| InChIKey |
MTTLSNIMGVENFJ-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