General Information of the Compound
Compound ID
CP0914488
Compound Name
Adenosine 2',3'-cyclicphosphate
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Structure
Formula
C10H12N5O6P
Molecular Weight
329.209
Canonical SMILES
Nc1ncnc2c1ncn2C1OC(CO)C2OP(=O)(O)OC21
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InChI
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
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InChIKey
KMYWVDDIPVNLME-UHFFFAOYSA-N
Physicochemical Property
logP
-0.8174
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
154.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
10
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: 2024
ChEMBL ID
CHEMBL4574750
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: PT06470, Olfactory receptor 51E2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000966 Hana3A Homo sapiens (Human)  1
1
EC50 = 26 nM
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