General Information of the Compound
| Compound ID |
CP0400609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimethoxybenzyl)-7-methyl-pyrrolo[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24BrN5O2
|
||||||||||||||||||
| Molecular Weight |
482.382
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(Cc2cc3c(nc(N)nc3n2C)N(C)c2cccc(Br)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24BrN5O2/c1-28(16-7-5-6-15(24)12-16)21-19-13-17(29(2)22(19)27-23(25)26-21)10-14-11-18(30-3)8-9-20(14)31-4/h5-9,11-13H,10H2,1-4H3,(H2,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNNXYQNZMIDNCI-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