General Information of the Compound
| Compound ID |
CP0062561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5Z)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-{[3-methyl-5-(morpholin-4-ylcarbonyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N8O3
|
||||||||||||||||||
| Molecular Weight |
560.618
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N8O3/c1-19-13-25(31(41)38-9-11-42-12-10-38)36-24(19)15-23-27-28(32-18-33-29(27)37-30(23)40)35-22-7-8-26-21(14-22)16-34-39(26)17-20-5-3-2-4-6-20/h2-8,13-16,18,36H,9-12,17H2,1H3,(H2,32,33,35,37,40)/b23-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDCWIVYFXQKDOP-HAHDFKILSA-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