General Information of the Compound
| Compound ID |
CP0509553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dimethyl-6-(4-(4-(pyridin-4-ylmethyl)piperazin-1-ylsulfonyl)phenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
494.577
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccncc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O4S/c1-27-21-15-20(26-22(21)23(31)28(2)24(27)32)18-3-5-19(6-4-18)35(33,34)30-13-11-29(12-14-30)16-17-7-9-25-10-8-17/h3-10,15,26H,11-14,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZYKURUSWHZVOV-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