COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK286285
Chemical Name: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl4-({4-[(4-chlorophenyl)sulfanyl]phenyl}amino)-4-oxobutanoate
Smiles: O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCC(=O)Nc1ccc(cc1)Sc1ccc(cc1)Cl

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Molecular Weight: 512.97
Empirical Formula: C25H21ClN2O6S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 6.081
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 143
Number of rings: 3

     

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