COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137406
Chemical Name: (2Z)-3-benzyl-2-[(4-chlorophenyl)imino]-6-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-1,3-thiazinan-4-one
Smiles: Clc1ccc(cc1)/N=C/1\SC(CC(=O)N1Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 564.06
Empirical Formula: C28H26ClN5O4S

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 4.755
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 127
Number of rings: 5

     

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