General Information of the Compound
| Compound ID |
CP0507007
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N7O6
|
||||||||||||||||||
| Molecular Weight |
441.404
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)24-12(8-22-15)21-7-9-1-3-10(4-2-9)16(29)23-11(18(31)32)5-6-13(27)28/h1-4,8,11H,5-7H2,(H,21,24)(H,23,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAUVIFJNDZCYPY-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