Drug Details

Name:

alpha-ketothiazole analogue 30

PubChem ID:

16098908

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C31H40FN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1

SMILES:

O=C(N[C@@H](c1ccc(cc1)F)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)Cc1cccnc1

Properties:

Formula:	C31H40FN9O4S	Atoms:	46
Molecular Weight:	653.771	Rotatable Bonds:	20
H-bond Acceptors:	14	H-bond Donors:	6
logP:	5.175

Targets:

Name	Uniprot ID	Source	References	Interaction
Coagulation factor XI	FA11_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

()-oxazepam hemisuccinate sodium salt

alpha-ketothiazole analogue 30

CHEMBL268003

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