General Information of the Compound
| Compound ID |
CP0862694
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-Carbamimidoyl-2-{3-[2-(morpholin-4-yl)pyrimidin-5-yl]phenyl}acetamide (2R,3R)-tartrate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N6O8
|
||||||||||||||||||
| Molecular Weight |
490.473
|
||||||||||||||||||
| Canonical SMILES |
N=C(N)NC(=O)Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N6O2.C4H6O6/c18-16(19)22-15(24)9-12-2-1-3-13(8-12)14-10-20-17(21-11-14)23-4-6-25-7-5-23;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-11H,4-7,9H2,(H4,18,19,22,24);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNMWSWRBHZFPRI-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