Ro67-4853   Click here for help

GtoPdb Ligand ID: 1387

Synonyms: Ro-67-4853
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 64.63
Molecular weight 325.13
XLogP 4.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2
Isomeric SMILES CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2
InChI InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
InChI Key RQBUXEUMZZQUFY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
butyl N-(9H-xanthene-9-carbonyl)carbamate
Synonyms Click here for help
Ro-67-4853
Database Links Click here for help
GtoPdb PubChem SID 135650923
PubChem CID 9949202
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Wikipedia Ro67-4853

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Tocris
Ro 67-4853
Cat. No. 4347