General Information of the Compound
| Compound ID |
CP0381599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N5O4S
|
||||||||||||||||||
| Molecular Weight |
467.551
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)21-20(27(2)23(28)30)15-19(26-21)16-7-9-18(10-8-16)33(31,32)25-13-11-17-6-4-5-12-24-17/h4-10,12,15,25-26H,3,11,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVWBSFSALRNJKJ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3