General Information of the Compound
| Compound ID |
CP0259635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[3-methoxy-4-[[6-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N7O2
|
||||||||||||||||||
| Molecular Weight |
443.511
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N7O2/c1-16(32)30-7-9-31(10-8-30)17-3-4-20(23(11-17)33-2)29-24-12-21(27-15-28-24)19-13-26-22-14-25-6-5-18(19)22/h3-6,11-15,26H,7-10H2,1-2H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEMURATYWKELKJ-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