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Drug Details

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Name:CHEMBL246969
PubChem ID:44440695
Pathway:Show KEGG pathways
InChI:InChI=1S/C21H29N9O11S3/c22-18-13-20(25-5-24-18)26-6-30(13)21-17(34)16(33)11(41-21)3-28-44(38,39)7-43(36,37)27-2-10-15(32)14(31)9(40-10)1-12-29-8(4-42-12)19(23)35/h4-6,9-11,14-17,21,27-28,31-34H,1-3,7H2,(H2,23,35)(H2,22,24,25)/t9-,10+,11+,14-,15+,16+,17+,21+/m0/s1
SMILES:O[C@H]1[C@H](Cc2scc(n2)C(=O)N)O[C@@H]([C@H]1O)CNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1c(N)ncn2

Properties:
Formula:C21H29N9O11S3Atoms:44
Molecular Weight:679.704Rotatable Bonds:12
H-bond Acceptors:21H-bond Donors:8
logP:-0.6638
Targets:
Synonyms:
CHEBI:511664
CHEMBL246969