General Information of the Compound
| Compound ID |
CP0467519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(3R)-3-aminopiperidin-1-yl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N9O
|
||||||||||||||||||
| Molecular Weight |
445.531
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N9O/c1-14(33)27-19-9-18(6-7-20(19)31-8-2-3-16(25)13-31)28-21-10-22(29-17-4-5-17)32-23(30-21)15(11-24)12-26-32/h6-7,9-10,12,16-17,29H,2-5,8,13,25H2,1H3,(H,27,33)(H,28,30)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRYREHYYNMWLNZ-MRXNPFEDSA-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