General Information of the Compound
Compound ID
CP0064491
Compound Name
2'-C-Methyl-uridine-5'-triphosphate
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Structure
Formula
C10H17N2O15P3
Molecular Weight
498.167
Canonical SMILES
C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O
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InChI
InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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InChIKey
JPNBLHSBLCCTEO-VPCXQMTMSA-N
Physicochemical Property
logP
-2.1108
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
264.37
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
12
Complexity
30

"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: 44586007
ChEMBL ID
CHEMBL521487
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 = 1450 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 = 1260 nM
   TI
   LI
   LO
   TS
Protein ID: PT00013, RNA-directed RNA polymerase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  7
1
IC50 = 25 nM
   TI
   LI
   LO
   TS
2
IC50 = 47 nM
   TI
   LI
   LO
   TS
3
IC50 = 63 nM
   TI
   LI
   LO
   TS
4
IC50 = 70 nM
   TI
   LI
   LO
   TS
5
IC50 = 97 nM
   TI
   LI
   LO
   TS
6
IC50 = 190 nM
   TI
   LI
   LO
   TS
7
IC50 = 36000 nM
   TI
   LI
   LO
   TS