General Information of the Compound
| Compound ID |
CP0400608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-4-(m-bromoanilino)-6-(2-methylbenzyl)-7-methyl-pyrrolo[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20BrN5
|
||||||||||||||||||
| Molecular Weight |
422.33
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-17-12-18-19(24-16-9-5-8-15(22)11-16)25-21(23)26-20(18)27(17)2/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUYCCARCAMJDBA-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