compound 26b [PMID: 16242323]   Click here for help

GtoPdb Ligand ID: 6733

Compound class: Synthetic organic
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl
Isomeric SMILES CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl
InChI InChI=1S/C38H50N6O3.2ClH/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5;;/h10-11,13-16,22-26H,6-9,12,17-21,39H2,1-5H3,(H2,41,42,46);2*1H
InChI Key YRTFLDFDKPFNCJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride
Database Links Click here for help
ChEMBL Ligand CHEMBL537859
GtoPdb PubChem SID 178103344
PubChem CID 45263310
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