DIM   Click here for help

GtoPdb Ligand ID: 11208

Compound class: Synthetic organic
Comment: Positive allosteric modulator of GPR84.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 31.58
Molecular weight 246.12
XLogP 3.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2
Isomeric SMILES c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChI Key VFTRKSBEFQDZKX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(1H-indol-3-ylmethyl)-1H-indole
Database Links Click here for help
CAS Registry No. 1968-05-4
GtoPdb PubChem SID 434122268
PubChem CID 3071
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