AM966   Click here for help

GtoPdb Ligand ID: 2905

Synonyms: AM 966 | AM-966
Compound class: Synthetic organic
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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 9
Topological polar surface area 101.66
Molecular weight 490.13
XLogP 6.85
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C
Isomeric SMILES OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C
InChI InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1
InChI Key WWQTWEWAPUCDDZ-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-{4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}phenyl)acetic acid
Synonyms Click here for help
AM 966 | AM-966
Database Links Click here for help
CAS Registry No. 1228690-19-4 (source: Scifinder)
GtoPdb PubChem SID 135649931
PubChem CID 46240292
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