COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197006
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])C)/c1nc2c([nH]1)cccc2

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Molecular Weight: 383.41
Empirical Formula: C22H17N5O2

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 5.47
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 4

     

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