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Drug Details

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Name:alpha-ketothiazole analogue 16
PubChem ID:23646329
Pathway:Show KEGG pathways
InChI:InChI=1S/C29H42Cl2N8O4S/c1-5-17(4)23(26(42)37-21(7-6-10-35-28(32)33)24(40)27-34-11-12-44-27)39-25(41)22(13-16(2)3)38-29(43)36-15-18-8-9-19(30)20(31)14-18/h8-9,11-12,14,16-17,21-23H,5-7,10,13,15H2,1-4H3,(H,37,42)(H,39,41)(H4,32,33,35)(H2,36,38,43)/t17?,21-,22-,23-/m0/s1
SMILES:CCC([C@@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)NCc1ccc(c(c1)Cl)Cl)CC(C)C)C

Properties:
Formula:C29H42Cl2N8O4SAtoms:44
Molecular Weight:669.666Rotatable Bonds:21
H-bond Acceptors:13H-bond Donors:6
logP:6.5802
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
alpha-ketothiazole analogue 16
CHEMBL384603