General Information of the Compound
| Compound ID |
CP0435605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4552829
Show/Hide
|
||||||||||||||||||
| Formula |
C27H38N8O
|
||||||||||||||||||
| Molecular Weight |
490.656
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N8O/c28-20-8-10-21(11-9-20)31-27-32-25(24-26(33-27)35(18-29-24)23-6-1-2-7-23)30-22-5-3-4-19(16-22)17-34-12-14-36-15-13-34/h3-5,16,18,20-21,23H,1-2,6-15,17,28H2,(H2,30,31,32,33)/t20-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBDARONIAAVPOJ-MEMLXQNLSA-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