General Information of the Compound
| Compound ID |
CP0576229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]carbamoylamino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14N6O4
|
||||||||||||||||||
| Molecular Weight |
342.315
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Oc2ccc(NC(=O)NCC(O)=O)cc2)c2cc[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14N6O4/c16-14-20-12-10(5-6-17-12)13(21-14)25-9-3-1-8(2-4-9)19-15(24)18-7-11(22)23/h1-6H,7H2,(H,22,23)(H2,18,19,24)(H3,16,17,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYMUJFWDEDCLCI-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