JNJ303   Click here for help

GtoPdb Ligand ID: 11477

Synonyms: JNJ 303 | JNJ-303
Compound class: Synthetic organic
Comment: JNJ303 is a selective blocker of the Kv7.1 current [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.88
Molecular weight 440.15
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C
Isomeric SMILES Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C
InChI InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-
InChI Key OSGIRCJRKSAODN-YLGPJNIESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-chlorophenoxy)-N-[5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide
Synonyms Click here for help
JNJ 303 | JNJ-303
Database Links Click here for help
CAS Registry No. 878489-28-2 (source: PubChem)
GtoPdb PubChem SID 440816845
PubChem CID 73016713
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