JNJ16259685   Click here for help

GtoPdb Ligand ID: 1385

Synonyms: JNJ-16259685
Compound class: Synthetic organic
Comment: The structure of JNJ16259685 described in the reference by Laveryson et al. does not specify stereochemistry, however, representations elsewhere in the literature and on other database show chirality specified.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 48.42
Molecular weight 325.17
XLogP 3.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1
Isomeric SMILES COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1
InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3
InChI Key QOTAQTRFJWLFCR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone
Synonyms Click here for help
JNJ-16259685
Database Links Click here for help
CAS Registry No. 409345-29-5 (source: Scifinder)
ChEMBL Ligand CHEMBL254574
GtoPdb PubChem SID 135650879
PubChem CID 11313361
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Tocris
JNJ 16259685
Cat. No. 2333