General Information of the Compound
| Compound ID |
CP0508680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32ClN9O3
|
||||||||||||||||||
| Molecular Weight |
590.088
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CCN(CC2)C(=O)CN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32ClN9O3/c1-5-26(40)33-21-14-22(25(42-4)15-24(21)37-10-12-38(13-11-37)27(41)18-36(2)3)34-29-31-17-20(30)28(35-29)19-16-32-39-9-7-6-8-23(19)39/h5-9,14-17H,1,10-13,18H2,2-4H3,(H,33,40)(H,31,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DADQYYJOCGTFOL-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