Rp-cAMPS   Click here for help

GtoPdb Ligand ID: 5262

Synonyms: adenosine- 3', 5'- cyclic monophosphorothioate, Rp- isomer
PDB Ligand
Compound class: Synthetic organic
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 O[C@@H]1[C@@H]2O[P@@](=S)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N
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)/t4-,6-,7-,10-,21-/m1/s1
InChI Key SMPNJFHAPJOHPP-PUHOFUEYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
adenosine- 3', 5'- cyclic monophosphorothioate, Rp- isomer
Database Links Click here for help
CAS Registry No. 73208-40-9
GtoPdb PubChem SID 178101946
PubChem CID 6858240
RCSB PDB Ligand RP1
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