General Information of the Compound
Compound ID
CP0059645
Compound Name
5'-CDP
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Synonyms
5'-O-[(phosphonatooxy)phosphinato]cytidine
A834354
CDP trianion
CDP(3-)
CHEBI:58069
Cytidine-5'-Diphosphate
[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate
[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate
cytidine 5'-diphosphate(2-)
cytidine 5'-pyrophosphate(2-)
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Structure
Formula
C9H15N3O11P2
Molecular Weight
403.177
Canonical SMILES
Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
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InChI
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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InChIKey
ZWIADYZPOWUWEW-XVFCMESISA-N
Physicochemical Property
logP
-2.329
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
223.89
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
11
Complexity
25

"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: 6132
SID: 15079805
ChEMBL ID
CHEMBL425252
DrugBank ID
DB04555
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: PT02796, P2Y purinoceptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 = 88000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cytidine-5'-Diphosphate )
Drug Name Cytidine-5'-Diphosphate