General Information of the Compound
| Compound ID |
CP0852223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N4-Methoxycytidine 5'-Glucose-1'-triphosphate Triethylammonium salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H43N4O20P3
|
||||||||||||||||||
| Molecular Weight |
776.516
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CC.CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H28N3O20P3.C6H15N/c1-33-18-8-2-3-19(16(26)17-8)14-12(24)10(22)7(35-14)5-34-40(27,28)38-42(31,32)39-41(29,30)37-15-13(25)11(23)9(21)6(4-20)36-15;1-4-7(5-2)6-3/h2-3,6-7,9-15,20-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,17,18,26);4-6H2,1-3H3/t6-,7-,9-,10-,11+,12-,13-,14-,15-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZARARRKRUKJGB-WTCMLTMYSA-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT02796, P2Y purinoceptor 6