CP 93129   Click here for help

GtoPdb Ligand ID: 11

Synonyms: CP-93,129 | CP-93129 | CP93129
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 60.68
Molecular weight 215.11
XLogP 0.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1ccc2c([nH]1)c(c[nH]2)C1=CCNCC1
Isomeric SMILES O=c1ccc2c([nH]1)c(c[nH]2)C1=CCNCC1
InChI InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)
InChI Key PJYVGMRFPFNZCT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[2,3-e]pyridin-5-one
Synonyms Click here for help
CP-93,129 | CP-93129 | CP93129
Database Links Click here for help
BindingDB Ligand 50015716
CAS Registry No. 127792-75-0 (source: Scifinder)
ChEMBL Ligand CHEMBL304008
GtoPdb PubChem SID 135650131
PubChem CID 124007
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Wikipedia CP-93,129