General Information of the Compound
| Compound ID |
CP0501231
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| Compound Name |
8-Cyano-1-(2-cyano-benzyl)-7-(4-methoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-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 |
C35H32N6O4
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| Molecular Weight |
600.679
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2C#N)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H32N6O4/c1-4-45-35(43)30-22-40(21-26-10-6-5-9-25(26)19-36)33-29(20-37)32(24-12-14-28(44-3)15-13-24)31(41(33)34(30)42)23-39(2)18-16-27-11-7-8-17-38-27/h5-15,17,22H,4,16,18,21,23H2,1-3H3
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| InChIKey |
UPSDFJYPLKEVPC-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