COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388542
Chemical Name: 4-chloro-3,5-dimethylphenyl2-[(4-nitrophenyl)sulfanyl]benzoate
Smiles: O=C(c1ccccc1Sc1ccc(cc1)[N+](=O)[O-])Oc1cc(C)c(c(c1)C)Cl

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Molecular Weight: 413.88
Empirical Formula: C21H16ClNO4S

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 7.121
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 3

     

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