Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1732883 - Overview - Compound Synopsis

Synonyms
Cin-QuinQUINIDINE SULFATE
QuinicardineQuinidex
Quinidine SulfateQuinora
Molecular Formula
C40H54N4O10S
InChI
InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1
Smiles
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
Cross References
UniChem24267014
canSAR1732883
ChEMBLCHEMBL3707183
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 782.3560649284.0442814109Yes


Compounds with the same scaffold


Image of compound ID: 1732883
Murko Scaffold Family: 9 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12