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Drug Details

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Name:CHEMBL289589
PubChem ID:44285349
Pathway:Show KEGG pathways
InChI:InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/p-1/t26?,27-,28-,29?,30?,31?,37-;/m0./s1
SMILES:NNC(=S)CCCC(B1O[C@H]2[C@](O1)(C)C1CC(C2)C1(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.[Br-]

Properties:
Formula:C37H50BBrN5O6SAtoms:51
Molecular Weight:783.603Rotatable Bonds:18
H-bond Acceptors:12H-bond Donors:4
logP:3.4632
Targets:
Synonyms:
CHEBI:155562
CHEMBL289589