YM-75440   Click here for help

GtoPdb Ligand ID: 3137

Synonyms: YM 75440 | YM75440
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 2
Rotatable bonds 9
Topological polar surface area 37.05
Molecular weight 370.2
XLogP 6.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1c2cccc1
Isomeric SMILES C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1c2cccc1
InChI InChI=1S/C25H26N2O/c1-2-9-22-24(28-17-8-16-26-18-19-10-4-3-5-11-19)15-14-21-20-12-6-7-13-23(20)27-25(21)22/h2-7,10-15,26-27H,1,8-9,16-18H2
InChI Key UPGXTVJBIFAVHT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
benzyl(3-{[1-(prop-2-en-1-yl)-9H-carbazol-2-yl]oxy}propyl)amine
Synonyms Click here for help
YM 75440 | YM75440
Database Links Click here for help
GtoPdb PubChem SID 135649654
PubChem CID 11372147
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