compound 15a [PMID: 16242323]   Click here for help

GtoPdb Ligand ID: 6724

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(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl
Isomeric SMILES CCCCn1c(=O)c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl
InChI InChI=1S/C32H39N5O3.ClH/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5;/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39);1H
InChI Key HALGUFCFUQNPBN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[3-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
Database Links Click here for help
ChEMBL Ligand CHEMBL556797
GtoPdb PubChem SID 178103335
PubChem CID 45265749
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