COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806718
Chemical Name: (2E)-3-(3-nitrophenyl)-1-[2-(prop-2-yn-1-ylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one
Smiles: C#CCSc1nc2c(n1C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])cccc2

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Molecular Weight: 363.4
Empirical Formula: C19H13N3O3S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 5.358
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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