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Drug Details

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Name:alpha-ketothiazole analogue 36
PubChem ID:16098914
Pathway:Show KEGG pathways
InChI:InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1
SMILES:O=C(N[C@@H](c1ccc(cc1)Br)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCNC(=O)N

Properties:
Formula:C29H43BrN10O5SAtoms:46
Molecular Weight:723.685Rotatable Bonds:23
H-bond Acceptors:16H-bond Donors:8
logP:5.7004
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
alpha-ketothiazole analogue 36
CHEMBL273653