General Information of the Compound
| Compound ID |
CP0576088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4530087
Show/Hide
|
||||||||||||||||||
| Formula |
C28H34N8O
|
||||||||||||||||||
| Molecular Weight |
498.635
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N8O/c1-37-24-9-5-4-8-22(24)23-15-14-20(16-30-23)32-26-25-27(36(17-31-25)21-6-2-3-7-21)35-28(34-26)33-19-12-10-18(29)11-13-19/h4-5,8-9,14-19,21H,2-3,6-7,10-13,29H2,1H3,(H2,32,33,34,35)/t18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFIVGTKFSDSSPZ-WGSAOQKQSA-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
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Cell Viability or Cytotoxicity Assay