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

749583 - Overview - Compound Synopsis

Synonyms
FADFLAVIN ADENIN DINUCLEOTIDE
Flavin Adenin DinucleotideFlavin Adenine Dinucleotide
Molecular Formula
C27H33N9O15P2
InChI
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
Smiles
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
Cross References
UniChem657157
canSAR749583
PDBe (Protein Data Bank Europe)FAD
ChEMBLCHEMBL1232653
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 785.157134616-2.42396102486Yes


Compounds with the same scaffold


Image of compound ID: 749583
Murko Scaffold Family: 7 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12



Compound Lineages


Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)





Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)