COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078378
Chemical Name: 4-[(4-methylpiperidin-1-yl)carbonothioyl]phenyl2-chloro-4-nitrobenzoate
Smiles: CC1CCN(CC1)C(=S)c1ccc(cc1)OC(=O)c1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 418.9
Empirical Formula: C20H19ClN2O4S

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 4.7
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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