General Information of the Compound
Compound ID
CP0438971
Compound Name
2-Methoxy-1-beta-D-ribofuranosylpyrimidine-4-one-5'-monophosphate
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Structure
Formula
C10H15N2O9P
Molecular Weight
338.209
Canonical SMILES
COc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
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InChI
InChI=1S/C10H15N2O9P/c1-19-10-11-6(13)2-3-12(10)9-8(15)7(14)5(21-9)4-20-22(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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InChIKey
YZHHOKQNKLNAMB-ZOQUXTDFSA-N
Physicochemical Property
logP
-2.0196
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
160.57
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Complexity
22

"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: 52952495
SID: 123104122
ChEMBL ID
CHEMBL1767422
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 = 9900 nM
   TI
   LI
   LO
   TS
Protein ID: PT05219, P2Y purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
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 = 9800 nM
   TI
   LI
   LO
   TS