COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000494
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)/c1nc2c(s1)cccc2

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Molecular Weight: 350.4
Empirical Formula: C18H14N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.251
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 3

     

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