General Information of the Compound
Compound ID
CP0852874
Compound Name
((2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methyl dihydrogen phosphate
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Structure
Formula
C10H15FN3O7P
Molecular Weight
339.216
Canonical SMILES
C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O
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InChI
InChI=1S/C10H15FN3O7P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)14-3-2-6(12)13-9(14)16/h2-3,5,7-8,15H,4H2,1H3,(H2,12,13,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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InChIKey
MJKXCSWNCSKTGP-VPCXQMTMSA-N
Physicochemical Property
logP
-1.0787
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
157.13
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
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: 23725124
SID: 47208559
ChEMBL ID
CHEMBL222630
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: PT07207, Deoxycytidylate deaminase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Km = 2000000 nM
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