1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole   Click here for help

GtoPdb Ligand ID: 3136

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 8
Topological polar surface area 37.05
Molecular weight 322.2
XLogP 5.38
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1
Isomeric SMILES C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1
InChI InChI=1S/C21H26N2O/c1-4-8-18-20(24-14-7-13-22-15(2)3)12-11-17-16-9-5-6-10-19(16)23-21(17)18/h4-6,9-12,15,22-23H,1,7-8,13-14H2,2-3H3
InChI Key UQDMMPHZGIOABI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3-{[1-(prop-2-en-1-yl)-9H-carbazol-2-yl]oxy}propyl)(propan-2-yl)amine
Database Links Click here for help
GtoPdb PubChem SID 135649655
PubChem CID 9949081
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