General Information of the Compound
| Compound ID |
CP0579066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[7-(cyclopropylmethyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N6O3S
|
||||||||||||||||||
| Molecular Weight |
402.48
|
||||||||||||||||||
| Canonical SMILES |
CN1C(CC2CC2)C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N6O3S/c1-23-14(9-11-3-4-11)17(25)24(2)15-10-20-18(22-16(15)23)21-12-5-7-13(8-6-12)28(19,26)27/h5-8,10-11,14H,3-4,9H2,1-2H3,(H2,19,26,27)(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYWJYYPSNMJATA-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 | |||||||||||||||||||
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