General Information of the Compound
| Compound ID |
CP0395988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1,3-bis(4-methoxyphenyl)guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23N9O3
|
||||||||||||||||||
| Molecular Weight |
509.53
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(Nc2ccc(OC)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23N9O3/c1-34-15-20-22(32-34)30-26(35-24(20)29-23(33-35)21-5-4-14-38-21)31-25(27-16-6-10-18(36-2)11-7-16)28-17-8-12-19(37-3)13-9-17/h4-15H,1-3H3,(H2,27,28,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXKKKLBKXQUNHG-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 | |||||||||||||||||||
| 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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3