Drug Details

Name:

2-ketobenzothiazole 3

PubChem ID:

23646579

Pathway:

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InChI:

InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1

SMILES:

CN[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)Cc1ccccc1

Properties:

Formula:	C28H35N7O3S	Atoms:	39
Molecular Weight:	549.688	Rotatable Bonds:	14
H-bond Acceptors:	11	H-bond Donors:	4
logP:	3.9594

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 3

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