[3H]cAMP   Click here for help

GtoPdb Ligand ID: 5096

Synonyms: [3H]-cAMP
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 164.65
Molecular weight 329.05
XLogP -2.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N
Isomeric SMILES O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N
InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChI Key IVOMOUWHDPKRLL-KQYNXXCUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-one
Synonyms Click here for help
[3H]-cAMP
Database Links Click here for help
ChEMBL Ligand CHEMBL316966
GtoPdb PubChem SID 178101789
PubChem CID 6076
RCSB PDB Ligand CMP
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