General Information of the Compound
| Compound ID |
CP0402194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(3-bromophenyl)-7-[(2-chlorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15BrClN5
|
||||||||||||||||||
| Molecular Weight |
428.721
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2ccn(Cc3ccccc3Cl)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15BrClN5/c20-13-5-3-6-14(10-13)23-17-15-8-9-26(18(15)25-19(22)24-17)11-12-4-1-2-7-16(12)21/h1-10H,11H2,(H3,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIZJPCNAKJGBKZ-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