General Information of the Compound
Compound ID
CP0911934
Compound Name
Uridine 5'-diphosphate bis-triethylammonium salt
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Structure
Formula
C21H44N4O12P2
Molecular Weight
606.547
Canonical SMILES
CCN(CC)CC.CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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InChI
InChI=1S/C9H14N2O12P2.2C6H15N/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;2*1-4-7(5-2)6-3/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);2*4-6H2,1-3H3/t4-,6-,7-,8-;;/m1../s1
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InChIKey
YUACGYFLUWHTNV-WFIJOQBCSA-N
Physicochemical Property
logP
0.0783
Rotatable Bonds
12
Heavy Atom Count
39
Polar Areas
224.32
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
12
Complexity
39

"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).

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PubChem ID
CID: 145993852
ChEMBL ID
CHEMBL4295086
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: PT02796, P2Y purinoceptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  2
1
EC50 = 41.6 nM
   TI
   LI
   LO
   TS
2
EC50 = 132 nM
   TI
   LI
   LO
   TS