General Information of the Compound
Compound ID
CP0315888
Compound Name
2'-deoxy-5-fluorocytidine
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Synonyms
5-Fluoro-2'-deoxycytidine
5-Fluoro-2-deoxycytidine
FdCyd
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Structure
Formula
C9H12FN3O4
Molecular Weight
245.21
Canonical SMILES
Nc1nc(=O)n(cc1F)[C@H]1C[C@H](O)[C@@H](CO)O1
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InChI
InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
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InChIKey
IDYKCXHJJGMAEV-RRKCRQDMSA-N
Physicochemical Property
logP
-1.3947
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
110.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
17

"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: 515328
SID: 14749681
ChEMBL ID
CHEMBL1076257
DrugBank ID
DB12957
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: PT01831, Deoxycytidine kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
IC50 > 4000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 5.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Fluoro-2-deoxycytidine )
Drug Name 5-Fluoro-2-deoxycytidine
Company City of Hope
Indication
Solid tumour/cancer
Phase 2