COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548386
Chemical Name: (2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxobutanenitrile
Smiles: N#C/C(=c/1\sc2c([nH]1)cccc2)/C(=O)CSc1nc2c(o1)cccc2

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Molecular Weight: 365.44
Empirical Formula: C18H11N3O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.816
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 129
Number of rings: 4

     

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