COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL115613
Chemical Name: N-(3,4-diethoxyphenyl)-N~3~-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}-beta-alaninamide
Smiles: CCOc1cc(ccc1OCC)NC(=O)CCNC(=O)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 487.54
Empirical Formula: C22H25N5O6S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 4.156
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 176
Number of rings: 3

     

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