General Information of the Compound
| Compound ID |
CP0401378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(2,4-dichlorophenyl)methyl]-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H13Cl2F4N5
|
||||||||||||||||||
| Molecular Weight |
470.257
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Nc2ccc(c(F)c2)C(F)(F)F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13Cl2F4N5/c21-10-2-1-9(15(22)6-10)5-12-7-13-17(30-19(27)31-18(13)29-12)28-11-3-4-14(16(23)8-11)20(24,25)26/h1-4,6-8H,5H2,(H4,27,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGRZDXRWPOUZPR-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