COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201417
Chemical Name: (2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(o1)Sc1nc2c([nH]1)cccc2)/c1ccc(cc1)[N+](=O)[O-]

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Saltdata: HCl
Molecular Weight: 388.41
Empirical Formula: C20H12N4O3S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 6.325
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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