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

1040504 - Overview - Compound Synopsis

Synonyms
1YJTETRAHYDROFOLATE
Molecular Formula
C19H23N7O6
InChI
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12+/m1/s1
Smiles
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2
Cross References
UniChem27126624
canSAR1040504
ChEMBLCHEMBL2074655
PDBe (Protein Data Bank Europe)1YJ
BindingDB50391006
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 445.170981456-0.28291355No


Compounds with the same scaffold


Image of compound ID: 1040504
Murko Scaffold Family: 6 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12