General Information of the Compound
| Compound ID |
CP0515185
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[(1-benzylindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H24N6O
|
||||||||||||||||||
| Molecular Weight |
484.563
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24N6O/c1-2-27(37)34-23-10-6-9-21(15-23)25-17-31-29-28(25)30(33-19-32-29)35-24-11-12-26-22(16-24)13-14-36(26)18-20-7-4-3-5-8-20/h2-17,19H,1,18H2,(H,34,37)(H2,31,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSSWGWQQJUPPOG-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