General Information of the Compound
| Compound ID |
CP0540941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-ethylcarbamoyl]-benzenesulfonyl fluoride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24FN5O5S
|
||||||||||||||||||
| Molecular Weight |
465.507
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc(CCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24FN5O5S/c1-3-10-25-17-16(19(28)26(11-4-2)20(25)29)23-15(24-17)8-9-22-18(27)13-6-5-7-14(12-13)32(21,30)31/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,27)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNIVOVVBDSGOEM-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