General Information of the Compound
| Compound ID |
CP0468603
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4444476
Show/Hide
|
||||||||||||||||||
| Formula |
C25H31N9
|
||||||||||||||||||
| Molecular Weight |
457.586
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-n2cccn2)c2ncn(C3CCCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N9/c26-17-6-8-19(9-7-17)30-25-31-23(22-24(32-25)33(16-27-22)20-4-1-2-5-20)29-18-10-12-21(13-11-18)34-15-3-14-28-34/h3,10-17,19-20H,1-2,4-9,26H2,(H2,29,30,31,32)/t17-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSRRMXMNFXYKAL-UAPYVXQJSA-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