General Information of the Compound
| Compound ID |
CP0281194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34N8O
|
||||||||||||||||||
| Molecular Weight |
450.591
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28)/t14-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCTRICLZSMFSET-GDBMZVCRSA-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