General Information of the Compound
| Compound ID |
CP0524122
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| Compound Name |
8-Cyano-7-(4-isobutoxy-phenyl)-1-(2-methoxy-benzyl)-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 |
C38H41N5O5
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| Molecular Weight |
647.776
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2OC)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OCC(C)C)cc1
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| InChI |
InChI=1S/C38H41N5O5/c1-6-47-38(45)32-23-42(22-28-11-7-8-13-34(28)46-5)36-31(21-39)35(27-14-16-30(17-15-27)48-25-26(2)3)33(43(36)37(32)44)24-41(4)20-18-29-12-9-10-19-40-29/h7-17,19,23,26H,6,18,20,22,24-25H2,1-5H3
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| InChIKey |
XFFFOLDSTZOALD-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