COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376663
Chemical Name: 2-{2-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]-5-(diethylamino)phenoxy}-N-(3-nitrophenyl)acetamide
Smiles: N#C/C(=C\c1ccc(cc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-])N(CC)CC)/C(=S)N

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Molecular Weight: 453.52
Empirical Formula: C22H23N5O4S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 4.463
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 169
Number of rings: 2

     

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