General Information of the Compound
| Compound ID |
CP0515211
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Fluoro-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 1-ethyl-propyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H39FN4O4
|
||||||||||||||||||
| Molecular Weight |
610.73
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H39FN4O4/c1-5-28(6-2)45-36(43)31-23-40(22-26-11-7-8-13-32(26)37)34-21-30(25-14-16-29(44-4)17-15-25)33(41(34)35(31)42)24-39(3)20-18-27-12-9-10-19-38-27/h7-17,19,21,23,28H,5-6,18,20,22,24H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQTGURBPGZKXMQ-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