General Information of the Compound
| Compound ID |
CP0112996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Cyano-1-(2-fluoro-benzyl)-7-(4-isobutoxy-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
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H38FN5O4
|
||||||||||||||||||
| Molecular Weight |
635.74
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OCC(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H38FN5O4/c1-5-46-37(45)31-22-42(21-27-10-6-7-12-32(27)38)35-30(20-39)34(26-13-15-29(16-14-26)47-24-25(2)3)33(43(35)36(31)44)23-41(4)19-17-28-11-8-9-18-40-28/h6-16,18,22,25H,5,17,19,21,23-24H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPKCFBBXVSMUKQ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound