General Information of the Compound
| Compound ID |
CP0451180
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]naphthalene-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H23N7O2
|
||||||||||||||||||
| Molecular Weight |
513.561
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1)c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H23N7O2/c38-29(23-15-6-13-21-12-4-5-14-22(21)23)33-30-32-26-24(28-31-27(35-37(28)30)25-16-8-18-39-25)19-36(34-26)17-7-11-20-9-2-1-3-10-20/h1-6,8-10,12-16,18-19H,7,11,17H2,(H,32,33,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLZSMXZRSBTUPC-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3