General Information of the Compound
| Compound ID |
CP0493484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33FN8O2
|
||||||||||||||||||
| Molecular Weight |
532.624
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2ccn(C)c2n1)N1CCN(CC1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33FN8O2/c1-17(2)36-12-14-37(15-13-36)18-8-9-21(23(16-18)39-4)32-28-33-26(19-10-11-35(3)27(19)34-28)31-22-7-5-6-20(29)24(22)25(30)38/h5-11,16-17H,12-15H2,1-4H3,(H2,30,38)(H2,31,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUWROBCRBMNFHE-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