General Information of the Compound
Compound ID
CP0761905
Compound Name
(cytidine) 4-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one
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Synonyms
1-beta-D-Ribofuranosylcytosine
1-beta-Ribofuranosylcytosine
1beta-2'-Ribofuranosylcytosine, d-
1beta-Ribofuranosylcytosine
2(1H)-Pyrimidinone, 4-amino-1-beta-D-ribofuranosyl-
2(1H)-Pyrimidinone, 4-amino-1beta-D-ribofuranosyl-
4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone
4-Amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone
65-46-3
CHEBI:17562
Cyd
Cytidin
Cytosine riboside
Cytosine, 1-beta-D-ribofuranosyl-
EINECS 200-610-9
NSC 20258
UNII-5CSZ8459RP
Zytidin
beta-D-Ribofuranoside, cytosine-1
cytidine
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Structure
Formula
C9H13N3O5
Molecular Weight
243.219
Canonical SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
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InChI
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
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InChIKey
UHDGCWIWMRVCDJ-XVFCMESISA-N
CAS
4395-95-3
Physicochemical Property
logP
-2.563
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
130.83
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
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: 6175
SID: 49684259
ChEMBL ID
CHEMBL95606
DrugBank ID
DB02097
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: PT02581, Cytidine deaminase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
Km = 40000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01831, Deoxycytidine kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Km = 6600 nM
   TI
   LI
   LO
   TS
Protein ID: PT06194, Uridine-cytidine kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
Km = 131000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( cytidine )
Drug Name cytidine