YM348   Click here for help

GtoPdb Ligand ID: 230

Synonyms: YM-348
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 56.98
Molecular weight 243.14
XLogP 2.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1oc2c(c1)c1c(cc2)cnn1CC(N)C
Isomeric SMILES CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C
InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
InChI Key QLOOWOVVZLBYHU-VIFPVBQESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-(7-ethylfuro[2,3-g]indazol-1-yl)propan-2-amine
Synonyms Click here for help
YM-348
Database Links Click here for help
CAS Registry No. 372163-84-3 (source: Scifinder)
ChEMBL Ligand CHEMBL407909
GtoPdb PubChem SID 135651344
PubChem CID 3045225
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Wikipedia YM-348