General Information of the Compound
Compound ID
CP0847757
Compound Name
2'-deoxycytidinemonophosphate
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Synonyms
1032-65-1
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE FREE ACID
2'-Deoxycytidine 5'-monophosphate
2'-Deoxycytidine-5'-Monophosphate
2'-Deoxycytidine-5'-monophosphoric acid
2'-deoxy-5'-cytidylic acid
5'-Cytidylic acid, 2'-deoxy-
CHEBI:15918
Deoxycytidine-5'-monophosphoric acid
Deoxycytidylate
NCMVOABPESMRCP-SHYZEUOFSA-N
Polydeoxycytidylic acid
UNII-W7A9174XQL
W7A9174XQL
dCMP
deoxycytidine monophosphate
deoxycytidine-phosphate
deoxycytidylic acid
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Structure
Formula
C9H14N3O7P
Molecular Weight
307.199
Canonical SMILES
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1
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InChI
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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InChIKey
NCMVOABPESMRCP-SHYZEUOFSA-N
CAS
25609-92-1
Physicochemical Property
logP
-1.4168
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
157.13
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Complexity
20

"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: 13945
SID: 14776409
ChEMBL ID
CHEMBL374699
DrugBank ID
DB03798
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 87000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04436, UMP-CMP kinase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 837000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2'-Deoxycytidine-5'-Monophosphate )
Drug Name 2'-Deoxycytidine-5'-Monophosphate