General Information of the Compound
| Compound ID |
CP0916690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(5-tert-Butyl-1H-pyrazol-3-yl)-5-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22ClFN6
|
||||||||||||||||||
| Molecular Weight |
388.878
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ncc(Cl)c(Nc2cc(C(C)(C)C)[nH]n2)n1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22ClFN6/c1-11(12-5-7-13(21)8-6-12)23-18-22-10-14(20)17(25-18)24-16-9-15(26-27-16)19(2,3)4/h5-11H,1-4H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLHJVAVGCUYPTA-NSHDSACASA-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