Drug Details

Name:

alpha-ketothiazole analogue 19

PubChem ID:

16098897

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C32H40Cl2N8O4S/c1-19(2)15-25(42-32(46)39-18-21-10-11-22(33)23(34)16-21)28(44)41-26(17-20-7-4-3-5-8-20)29(45)40-24(9-6-12-38-31(35)36)27(43)30-37-13-14-47-30/h3-5,7-8,10-11,13-14,16,19,24-26H,6,9,12,15,17-18H2,1-2H3,(H,40,45)(H,41,44)(H4,35,36,38)(H2,39,42,46)/t24-,25-,26-/m0/s1

SMILES:

CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)Cc1ccccc1)NC(=O)NCc1ccc(c(c1)Cl)Cl)C

Properties:

Formula:	C32H40Cl2N8O4S	Atoms:	47
Molecular Weight:	703.682	Rotatable Bonds:	21
H-bond Acceptors:	13	H-bond Donors:	6
logP:	6.7768

Targets:

Name	Uniprot ID	Source	References	Interaction
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Coagulation factor XI	FA11_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

()-oxazepam hemisuccinate sodium salt

alpha-ketothiazole analogue 19

CHEMBL375598

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