General Information of the Compound
Compound ID
CP0908512
Compound Name
beta-D-2'-deoxy-2'-fluoro-2'-C-methyluridine monophosphate
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Structure
Formula
C10H14FN2O8P
Molecular Weight
340.2
Canonical SMILES
C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
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InChI
InChI=1S/C10H14FN2O8P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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InChIKey
JAJZLQMRDFLNSW-VPCXQMTMSA-N
Physicochemical Property
logP
-1.3676
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
151.08
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
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: 23725126
SID: 47208561
ChEMBL ID
CHEMBL558913
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: PT04436, UMP-CMP kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
Km = 870000 nM
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