NDT9513727

Ligand id: 9746

Name: NDT9513727

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 57.98
Molecular weight 573.26
XLogP 8.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2,5-di(phenyl)imidazol-4-yl]methanamine
Synonyms
NDT 9513727 | NDT-9513727
Comments
NDT9513727 is a non-peptide inverse agonist of C5aR1 [1].
Database Links
CAS Registry No. 439571-48-9
GtoPdb PubChem SID 354702219
PubChem CID 10210160
RCSB PDB Ligand 9P2
Search Google for chemical match using the InChIKey ITACCRHKSPSKKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ITACCRHKSPSKKL
Search UniChem for chemical match using the InChIKey ITACCRHKSPSKKL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ITACCRHKSPSKKL

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Tocris
NDT 9513727
Cat. No. 3333