General Information of the Compound
| Compound ID |
CP0228611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-(4-morpholino-7-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O2
|
||||||||||||||||||
| Molecular Weight |
393.491
|
||||||||||||||||||
| Canonical SMILES |
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ccn(C3CCNCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N5O2/c28-15-16-2-1-3-17(14-16)20-24-21(26-10-12-29-13-11-26)19-6-9-27(22(19)25-20)18-4-7-23-8-5-18/h1-3,6,9,14,18,23,28H,4-5,7-8,10-13,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOBPQMXNKOPXNC-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