General Information of the Compound
| Compound ID |
CP0008796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-[(2-fluoro-2-methylpropyl)amino]-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26FN9O
|
||||||||||||||||||
| Molecular Weight |
475.532
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26FN9O/c1-6-34-20(15-9-26-13(2)27-10-15)32-18-17(29-12-30-21(18)34)14-7-16-19(28-8-14)33-22(35)24(16,5)31-11-23(3,4)25/h7-10,12,31H,6,11H2,1-5H3,(H,28,33,35)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYXYTTPRFNUTKT-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