COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789453
Chemical Name: 3-nitro-N-[(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]benzamide
Smiles: S=C(N1c2ccccc2C(CC1(C)C)(C)c1ccccc1)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 459.57
Empirical Formula: C26H25N3O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 6.1
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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