General Information of the Compound
| Compound ID |
CP0964517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-(cyclopropylmethyl)-2-ethyl-N-methylquinolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33N9O
|
||||||||||||||||||
| Molecular Weight |
559.678
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(N(C)CC2CC2)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33N9O/c1-4-22-12-29(39(2)16-20-5-6-20)25-8-7-24(13-28(25)37-22)42-18-21-11-23(15-34-14-21)41-17-26(27-9-10-40(3)38-27)30-31(33)35-19-36-32(30)41/h7-15,17,19-20H,4-6,16,18H2,1-3H3,(H2,33,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVPNBAREIIWDGT-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 | |||||||||||||||||||
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