COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380933
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-bromo-5-methoxy-4-(propan-2-yloxy)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(Br)c(c(c1)OC)OC(C)C)/c1nc2c(s1)cccc2

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Molecular Weight: 429.34
Empirical Formula: C20H17BrN2O2S

Physical State: Dry powder
Available Amount: 866 mg

Lipinsky:
logP: 6.248
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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