Drug Details

Name:

2-ketobenzothiazole 54

PubChem ID:

23646600

Pathway:

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InChI:

InChI=1S/C29H38N8O3/c1-32-22(18-19-10-4-3-5-11-19)28(40)37-17-9-15-24(37)27(39)35-21(13-8-16-33-29(30)31)25(38)26-34-20-12-6-7-14-23(20)36(26)2/h3-7,10-12,14,21-22,24,32H,8-9,13,15-18H2,1-2H3,(H,35,39)(H4,30,31,33)/t21?,22-,24+/m1/s1

SMILES:

CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(=O)c1nc2c(n1C)cccc2)CCCN=C(N)N)Cc1ccccc1

Properties:

Formula:	C29H38N8O3	Atoms:	40
Molecular Weight:	546.664	Rotatable Bonds:	14
H-bond Acceptors:	11	H-bond Donors:	4
logP:	3.2364

Targets:

Name	Uniprot ID	Source	References	Interaction
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

()-oxazepam hemisuccinate sodium salt

2-ketobenzothiazole 54

CHEMBL368900

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