compound 16 [PMID: 16242323]   Click here for help

GtoPdb Ligand ID: 6726

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)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl
Isomeric SMILES CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl
InChI InChI=1S/C31H39N5O3.ClH/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5;/h9-16,18-20,26,32H,7-8,17H2,1-6H3,(H2,34,35,38);1H
InChI Key UXCQVIIRKWYPHK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[2,4-bis(propan-2-yl)-1,2-dihydropyridin-3-yl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
Database Links Click here for help
GtoPdb PubChem SID 178103337
PubChem CID 73755234
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