compound 18b [PMID: 16242323]   Click here for help

GtoPdb Ligand ID: 6728

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)C)c(c2c1nccc2)c1cccc(c1)OC.Cl
Isomeric SMILES CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl
InChI InChI=1S/C35H45N5O3.ClH/c1-9-10-17-40-33-27(15-12-16-36-33)30(25-13-11-14-26(20-25)43-8)32(34(40)41)38-35(42)37-31-28(22(2)3)18-24(21-39(6)7)19-29(31)23(4)5;/h11-16,18-20,22-23H,9-10,17,21H2,1-8H3,(H2,37,38,42);1H
InChI Key YCGQPIRMLGEWMW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1-{4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenyl}urea hydrochloride
Database Links Click here for help
GtoPdb PubChem SID 178103339
PubChem CID 73755236
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