General Information of the Compound
| Compound ID |
CP0425617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N6O
|
||||||||||||||||||
| Molecular Weight |
338.415
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N6O/c1-23-7-9-24(10-8-23)17-14-11-15(20-16(14)21-18(19)22-17)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H3,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAOZOMZYCFJQIE-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