General Information of the Compound
| Compound ID |
CP0573531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N7O3
|
||||||||||||||||||
| Molecular Weight |
491.596
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1nc(OC2CCN(CC2)C(=O)C=C)c2cc[nH]c2n1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N7O3/c1-4-23(34)33-11-8-19(9-12-33)36-25-20-7-10-27-24(20)29-26(30-25)28-21-6-5-18(17-22(21)35-3)32-15-13-31(2)14-16-32/h4-7,10,17,19H,1,8-9,11-16H2,2-3H3,(H2,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIWSGCWGBIMXOQ-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