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

GtoPdb Ligand ID: 6731

Compound class: Synthetic organic
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl
Isomeric SMILES OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl
InChI InChI=1S/C33H41N5O4.ClH/c1-6-7-16-38-31-25(12-9-15-35-31)28(22-10-8-11-23(19-22)42-18-17-39)30(32(38)40)37-33(41)36-29-24(20(2)3)13-14-26(34)27(29)21(4)5;/h8-15,19-21,39H,6-7,16-18,34H2,1-5H3,(H2,36,37,41);1H
InChI Key MXPCZHSTOIKVST-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-(2-hydroxyethoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride
Database Links Click here for help
GtoPdb PubChem SID 178103342
PubChem CID 73755240
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