General Information of the Compound
Compound ID |
CP0377646
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
8-Cyano-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 cyclopentyl ester
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C37H36FN5O4
|
||||||||||||||||||
Molecular Weight |
633.724
|
||||||||||||||||||
Canonical SMILES |
COc1ccc(cc1)-c1c(CN(C)CCc2ccccn2)n2c(c1C#N)n(Cc1ccccc1F)cc(C(=O)OC1CCCC1)c2=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C37H36FN5O4/c1-41(20-18-27-10-7-8-19-40-27)24-33-34(25-14-16-28(46-2)17-15-25)30(21-39)35-42(22-26-9-3-6-13-32(26)38)23-31(36(44)43(33)35)37(45)47-29-11-4-5-12-29/h3,6-10,13-17,19,23,29H,4-5,11-12,18,20,22,24H2,1-2H3
Show/Hide
|
||||||||||||||||||
InChIKey |
RSFJYMCZBQYEDZ-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