General Information of the Compound
| Compound ID |
CP0357753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Cyano-7-(4-cyclopentyloxy-phenyl)-1-(2-fluoro-benzyl)-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 |
C41H44FN5O4
|
||||||||||||||||||
| Molecular Weight |
689.832
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H44FN5O4/c1-4-31(5-2)51-41(49)35-26-46(25-29-12-6-9-16-36(29)42)39-34(24-43)38(28-17-19-33(20-18-28)50-32-14-7-8-15-32)37(47(39)40(35)48)27-45(3)23-21-30-13-10-11-22-44-30/h6,9-13,16-20,22,26,31-32H,4-5,7-8,14-15,21,23,25,27H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBAZQJWNKNRFAG-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