Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL553644
PubChem ID:45269561
Pathway:Show KEGG pathways
InChI:InChI=1S/C27H29N5O4S2.C2HF3O2/c28-26(29)21-12-10-19(11-13-21)16-30-25(33)14-15-32-23-8-4-5-9-24(23)37-17-22(27(32)34)31-38(35,36)18-20-6-2-1-3-7-20;3-2(4,5)1(6)7/h1-13,22,31H,14-18H2,(H3,28,29)(H,30,33);(H,6,7)/t22-;/m0./s1
SMILES:OC(=O)C(F)(F)F.O=C(NCc1ccc(cc1)C(=N)N)CCN1C(=O)[C@H](CSc2c1cccc2)NS(=O)(=O)Cc1ccccc1

Properties:
Formula:C29H30F3N5O6S2Atoms:45
Molecular Weight:665.704Rotatable Bonds:12
H-bond Acceptors:12H-bond Donors:5
logP:5.965
Targets:
NameUniprot IDSourceReferencesInteraction
Tissue factorTF_HUMANBindingDB-shows
Synonyms:
CHEBI:659446
CHEMBL553644