General Information of the Compound
| Compound ID |
CP0505891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-7-(4-butyrylamino-phenyl)-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid butylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H42FN5O3
|
||||||||||||||||||
| Molecular Weight |
635.784
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)CCC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H42FN5O3/c1-4-6-21-40-37(46)32-25-43(24-29-15-10-11-16-33(29)39)36-22-31(28-17-19-30(20-18-28)41-35(45)12-5-2)34(44(36)38(32)47)26-42(3)23-27-13-8-7-9-14-27/h7-11,13-20,22,25H,4-6,12,21,23-24,26H2,1-3H3,(H,40,46)(H,41,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVEIAQQXTGICDD-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