General Information of the Compound
| Compound ID |
CP0438973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Phenacyl-5'-uridylic Acid(1,1-Chloro-1-phosphonomethyl-1-phosphonyl)anhydride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21Cl2N2O15P3
|
||||||||||||||||||
| Molecular Weight |
669.193
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21Cl2N2O15P3/c19-18(20,38(28,29)30)39(31,32)37-40(33,34)35-9-12-14(25)15(26)16(36-12)21-7-6-13(24)22(17(21)27)8-11(23)10-4-2-1-3-5-10/h1-7,12,14-16,25-26H,8-9H2,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFXKDYBJGPCICW-DTZQCDIJSA-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: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6