General Information of the Compound
| Compound ID |
CP0498546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[4-[(1,3-dioxoisoindol-2-yl)methoxy]anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H22N6O4
|
||||||||||||||||||
| Molecular Weight |
530.544
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(OCN4C(=O)c5ccccc5C4=O)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H22N6O4/c1-2-25(37)34-20-7-5-6-18(14-20)24-15-31-27-26(24)28(33-16-32-27)35-19-10-12-21(13-11-19)40-17-36-29(38)22-8-3-4-9-23(22)30(36)39/h2-16H,1,17H2,(H,34,37)(H2,31,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBWQGJTVHGEOPP-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