General Information of the Compound
| Compound ID |
CP0545101
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyrylamino)-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N9O6
|
||||||||||||||||||
| Molecular Weight |
559.543
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3cccc(c3)C(O)=O)C(O)=O)cnc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N9O6/c27-21-20-22(35-26(28)34-21)30-12-17(32-20)11-29-15-6-4-13(5-7-15)23(37)33-18(25(40)41)8-9-19(36)31-16-3-1-2-14(10-16)24(38)39/h1-7,10,12,18,29H,8-9,11H2,(H,31,36)(H,33,37)(H,38,39)(H,40,41)(H4,27,28,30,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFZCSZMXEDWCGV-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