OPC-51803   Click here for help

GtoPdb Ligand ID: 2173

Synonyms: OPC51803
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 52.65
Molecular weight 453.22
XLogP 5.24
No. Lipinski's rules broken 1
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Canonical SMILES CC(NC(=O)CC1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C
Isomeric SMILES CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C
InChI InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand OPC-51803
Other databases
BindingDB Ligand 50117486
CAS Registry No. 192514-54-8 (source: Scifinder)
ChEMBL Ligand CHEMBL332447
GtoPdb PubChem SID 135650776
PubChem CID 3038506
Search Google for chemical match using the InChIKey INGXCNVWWKKWOO-LJQANCHMSA-N
Search Google for chemicals with the same backbone INGXCNVWWKKWOO
UniChem Compound Search for chemical match using the InChIKey INGXCNVWWKKWOO-LJQANCHMSA-N
UniChem Connectivity Search for chemical match using the InChIKey INGXCNVWWKKWOO-LJQANCHMSA-N