RY785   Click here for help

GtoPdb Ligand ID: 11478

Compound class: Synthetic organic
Comment: Herringtom et al. (2011) stipulates that RY785 is the (R) enantiomer, and RY796 is the (S) enantiomer [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 8
Topological polar surface area 61.44
Molecular weight 353.21
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@@H](c1ccccc1)C)N(C)C
Isomeric SMILES O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@@H](c1ccccc1)C)N(C)C
InChI InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChI Key LDXZFQWWXMRMAS-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide
Database Links Click here for help
GtoPdb PubChem SID 440816846
PubChem CID 76850157
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