General Information of the Compound
| Compound ID |
CP0018049
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-6-[[(1S)-1-[3-methyl-6-[3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H39N9OS
|
||||||||||||||||||
| Molecular Weight |
633.826
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPPYEVMVSNICSZ-DEOSSOPVSA-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