General Information of the Compound
| Compound ID |
CP0373162
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| Compound Name |
1-Benzyl-8-cyano-6-dimethylaminomethyl-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 |
C28H28N4O4
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| Molecular Weight |
484.556
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2)c2c(C#N)c(c(CN(C)C)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H28N4O4/c1-5-36-28(34)23-17-31(16-19-9-7-6-8-10-19)26-22(15-29)25(20-11-13-21(35-4)14-12-20)24(18-30(2)3)32(26)27(23)33/h6-14,17H,5,16,18H2,1-4H3
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| InChIKey |
WMCIMFKFTRBVAG-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