General Information of the Compound
| Compound ID |
CP0968137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)carbamoyl)-L-histidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N8O4
|
||||||||||||||||||
| Molecular Weight |
422.405
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O)cc2)c2cc[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N8O4/c20-18-26-15-13(5-6-22-15)16(27-18)31-12-3-1-10(2-4-12)24-19(30)25-14(17(28)29)7-11-8-21-9-23-11/h1-6,8-9,14H,7H2,(H,21,23)(H,28,29)(H2,24,25,30)(H3,20,22,26,27)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMJRZSTWLUZQBN-AWEZNQCLSA-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