COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454776
Chemical Name: (2E)-2-({5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}methylidene)-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])Cl)/C(=O)C(C)(C)C

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Molecular Weight: 388.81
Empirical Formula: C19H17ClN2O5

Physical State: Dry powder
Available Amount: 472 mg

Lipinsky:
logP: 4.622
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 109
Number of rings: 2

     

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