COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810749
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCCC(C)C)/c1nc2c(s1)cccc2

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Molecular Weight: 378.49
Empirical Formula: C22H22N2O2S

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 6.558
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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