Lu AF21934   Click here for help

GtoPdb Ligand ID: 6237

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 64.35
Molecular weight 316.07
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NOCC1CCCCC1C(=O)Nc1ccc(c(c1)Cl)Cl
Isomeric SMILES NOC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(c(c1)Cl)Cl
InChI InChI=1S/C14H18Cl2N2O2/c15-12-6-5-10(7-13(12)16)18-14(19)11-4-2-1-3-9(11)8-20-17/h5-7,9,11H,1-4,8,17H2,(H,18,19)/t9-,11-/m0/s1
InChI Key MBRLECISJUKSAN-ONGXEEELSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,2R)-2-[(aminooxy)methyl]-N-(3,4-dichlorophenyl)cyclohexane-1-carboxamide
Database Links Click here for help
GtoPdb PubChem SID 178102858
PubChem CID 73755199
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