General Information of the Compound
| Compound ID |
CP0903574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-methyl-3-(2-morpholinopyrimidin-5-yl)phenyl]methyl-N-carbamimidoylcarbamate (2R,3R)-tartrate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N6O9
|
||||||||||||||||||
| Molecular Weight |
520.499
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(COC(=O)NC(=N)N)cccc1-c1cnc(N2CCOCC2)nc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N6O3.C4H6O6/c1-12-13(11-27-18(25)23-16(19)20)3-2-4-15(12)14-9-21-17(22-10-14)24-5-7-26-8-6-24;5-1(3(7)8)2(6)4(9)10/h2-4,9-10H,5-8,11H2,1H3,(H4,19,20,23,25);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGACXIUSRWSPGS-LREBCSMRSA-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