Ro 60-0175   Click here for help

GtoPdb Ligand ID: 166

Synonyms: Ro-600175 | Ro600175
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 30.95
Molecular weight 226.07
XLogP 2.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cn1ccc2c1cc(Cl)c(c2)F)N
Isomeric SMILES C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N
InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChI Key XJJZQXUGLLXTHO-ZETCQYMHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-(6-chloro-5-fluoroindol-1-yl)propan-2-amine
Synonyms Click here for help
Ro-600175 | Ro600175
Database Links Click here for help
BindingDB Ligand 50144841
ChEBI CHEBI:223335
ChEMBL Ligand CHEMBL76781
GtoPdb PubChem SID 135650920
PubChem CID 3045227
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