General Information of the Compound
| Compound ID |
CP0004204
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-yl]-4-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29F3N8
|
||||||||||||||||||
| Molecular Weight |
474.535
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBZXYASRLGQZEQ-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