TG7-171   Click here for help

GtoPdb Ligand ID: 8546

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 37.27
Molecular weight 377.25
XLogP 5.16
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC
Isomeric SMILES CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC
InChI InChI=1S/C24H31N3O/c1-4-26(5-2)22-13-11-20(12-14-22)18-24(28)25-15-8-16-27-19(3)17-21-9-6-7-10-23(21)27/h6-7,9-14,17H,4-5,8,15-16,18H2,1-3H3,(H,25,28)
InChI Key NBHMEDLJHJCMEZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-(diethylamino)phenyl]-N-[3-(2-methyl-1H-indol-1-yl)propyl]acetamide
Database Links Click here for help
GtoPdb PubChem SID 252166747
PubChem CID 91827368
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