CCPA   Click here for help

GtoPdb Ligand ID: 374

Synonyms: 2-chloro-N(6)cyclopentyladenosine | 2-chloro-N6-cyclopentyladenosine (2-Cl-CPA)
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 125.55
Molecular weight 369.12
XLogP 1.02
No. Lipinski's rules broken 0
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1
InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
2-chloro-N(6)cyclopentyladenosine | 2-chloro-N6-cyclopentyladenosine (2-Cl-CPA)
Database Links Click here for help
Specialist databases
GPCRdb Ligand CCPA
Other databases
CAS Registry No. 37739-05-2 (source: Scifinder)
ChEMBL Ligand CHEMBL284969
GtoPdb PubChem SID 135651453
PubChem CID 123807
Search Google for chemical match using the InChIKey XSMYYYQVWPZWIZ-IDTAVKCVSA-N
Search Google for chemicals with the same backbone XSMYYYQVWPZWIZ
UniChem Compound Search for chemical match using the InChIKey XSMYYYQVWPZWIZ-IDTAVKCVSA-N
UniChem Connectivity Search for chemical match using the InChIKey XSMYYYQVWPZWIZ-IDTAVKCVSA-N
Wikipedia CCPA_(biochemistry)

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2-Chloro-N6-cyclopentyladenosine (links to external site)
Cat. No. 1705