Sp-cAMPS   Click here for help

GtoPdb Ligand ID: 10623

Compound class: Synthetic organic
Comment: Cell-permeable cAMP analogue. Triethylammonium salt is used in assays (compound information available here: https://pubchem.ncbi.nlm.nih.gov/compound/57369926).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 179.67
Molecular weight 345.03
XLogP -0.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N
Isomeric SMILES OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N
InChI InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)
InChI Key SMPNJFHAPJOHPP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Database Links Click here for help
GtoPdb PubChem SID 404859070
PubChem CID 6426632
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