General Information of the Compound
Compound ID
CP0940717
Compound Name
uridine diphosphate trisodium salt
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Structure
Formula
C9H11N2Na3O12P2
Molecular Weight
470.107
Canonical SMILES
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+].[Na+]
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InChI
InChI=1S/C9H14N2O12P2.3Na/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;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1
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InChIKey
GFASEGWJDXDCKZ-LLWADOMFSA-K
CAS
19817-91-5
Physicochemical Property
logP
-13.5019
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
226.33
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
13
Complexity
28

"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: 101811547
SID: 15979949
ChEMBL ID
CHEMBL1096401
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: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 = 1140 nM
   TI
   LI
   LO
   TS