General Information of the Compound
| Compound ID |
CP0569121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(5',8'-dimethyl-6'-oxospiro[cyclopropane-1,7'-pteridine]-2'-yl)amino]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18N6O3S
|
||||||||||||||||||
| Molecular Weight |
374.426
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)C2(CC2)N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N6O3S/c1-21-12-9-18-15(19-10-3-5-11(6-4-10)26(17,24)25)20-13(12)22(2)16(7-8-16)14(21)23/h3-6,9H,7-8H2,1-2H3,(H2,17,24,25)(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WETSQKZVPSQMOO-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