General Information of the Compound
Compound ID
CP0372033
Compound Name
2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
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Synonyms
102814-08-4
1173-82-6
2'-Deoxyuracil 5'-triphosphate
2'-Deoxyuridine 5'-triphosphate
2'-Deoxyuridine-5'-triphosphate trisodium salt
2'-deoxy-UTP
2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
CHEBI:17625
CHEMBL374361
DEOXYURIDINE-5'-TRIPHOSPHATE
Deoxyuridine 5'-triphosphate
Deoxyuridine triphosphate
Deoxyuridine-5'-Triphosphate
N(4)-Methoxydeoxycytidine triphosphate
Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-
[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosp
dUTP
deoxy-UTP
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Structure
Formula
C9H15N2O14P3
Molecular Weight
468.141
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
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InChI
InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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InChIKey
AHCYMLUZIRLXAA-SHYZEUOFSA-N
CAS
102814-08-4
91918-34-2
Physicochemical Property
logP
-1.4717
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
244.14
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
11
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: 65070
SID: 14858482
ChEMBL ID
CHEMBL374361
DrugBank ID
DB02333
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 = 1080 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Deoxyuridine-5'-Triphosphate )
Drug Name Deoxyuridine-5'-Triphosphate