compound 22c [PMID: 16242323]   Click here for help

GtoPdb Ligand ID: 6730

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)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl
Isomeric SMILES CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl
InChI InChI=1S/C35H45N5O4.ClH/c1-6-7-15-40-33-27(13-9-14-37-33)30(25-11-8-12-26(20-25)44-17-10-16-41)32(34(40)42)39-35(43)38-31-28(22(2)3)18-24(21-36)19-29(31)23(4)5;/h8-9,11-14,18-20,22-23,41H,6-7,10,15-17,21,36H2,1-5H3,(H2,38,39,43);1H
InChI Key OXTVBHDILDPYAS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-(aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride
Database Links Click here for help
GtoPdb PubChem SID 178103341
PubChem CID 73755238
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