Ro01-6128   Click here for help

GtoPdb Ligand ID: 1386

Synonyms: Ro-016128
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.4
Molecular weight 283.12
XLogP 3.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1
Isomeric SMILES CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1
InChI InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20)
InChI Key ILSZPWZFQHSKLW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl N-[2,2-di(phenyl)acetyl]carbamate
Synonyms Click here for help
Ro-016128
Database Links Click here for help
GtoPdb PubChem SID 135650908
PubChem CID 9903898
Search Google for chemical match using the InChIKey ILSZPWZFQHSKLW-UHFFFAOYSA-N
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Wikipedia Ro01-6128

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Tocris
Ro 01-6128
Cat. No. 4348