General Information of the Compound
Compound ID
CP0422197
Compound Name
((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
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Synonyms
1dud
2''-Deoxyuridine-5''-diphosphate
2'-Deoxyuridine 5'-diphosphate
2'-deoxyuridine 5'-(trihydrogen diphosphate)
2'-deoxyuridine-5'-diphosphate
4208-67-7
AC1L3RS9
BDBM50179185
CHEBI:28850
CHEMBL9519
DB03413
DEOXYURIDINE-5''-DIPHOSPHATE
DEOXYURIDINE-5'-DIPHOSPHATE
DTXSID90194922
DUD
Deoxyuridine 5'-diphosphate
Deoxyuridine diphosphate
Deoxyuridine-5'-Diphosphate
SCHEMBL156694
Uridine 5'-(trihydrogen diphosphate), 2'-deoxy-
Uridine, 2'-deoxy-, 5'-(trihydrogen pyrophosphate)
ZINC8217150
dUDP
deoxyuridine-diphosphate
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Structure
Formula
C9H14N2O11P2
Molecular Weight
388.162
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
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InChI
InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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InChIKey
QHWZTVCCBMIIKE-SHYZEUOFSA-N
CAS
4208-67-7
Physicochemical Property
logP
-1.5887
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
197.61
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
9
Complexity
24

"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: 145729
SID: 16355390
ChEMBL ID
CHEMBL9519
DrugBank ID
DB03413
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)  1
1
EC50 = 1720 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Deoxyuridine-5'-Diphosphate )
Drug Name Deoxyuridine-5'-Diphosphate