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

Drug Details

add
Name:CHEMBL220386
PubChem ID:16115750
Pathway:Show KEGG pathways
InChI:InChI=1S/C21H21FN6O5/c1-3-23-20(31)17-15(29)16(30)21(33-17)28-10-24-14-18(27-32-2)25-13(26-19(14)28)9-6-11-4-7-12(22)8-5-11/h4-5,7-8,10,15-17,21,29-30H,3H2,1-2H3,(H,23,31)(H,25,26,27)/t15-,16+,17-,21+/m0/s1
SMILES:CONc1nc(C#Cc2ccc(cc2)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC

Properties:
Formula:C21H21FN6O5Atoms:33
Molecular Weight:456.427Rotatable Bonds:6
H-bond Acceptors:11H-bond Donors:4
logP:0.5577
Targets:
Synonyms:
CHEBI:470631
CHEMBL220386