General Information of the Compound
| Compound ID |
CP0564714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(4-benzylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H23N5O
|
||||||||||||||||||
| Molecular Weight |
445.526
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(Cc4ccccc4)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23N5O/c1-2-25(34)32-23-10-6-9-21(16-23)24-17-29-27-26(24)28(31-18-30-27)33-22-13-11-20(12-14-22)15-19-7-4-3-5-8-19/h2-14,16-18H,1,15H2,(H,32,34)(H2,29,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBHMHNJMLULEOJ-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 | |||||||||||||||||||
| 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