COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021202
Chemical Name: 4-{[2-ethyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCN1C(=C(Nc2c(=O)n(n(c2C)C)c2ccccc2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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Molecular Weight: 514.6
Empirical Formula: C28H26N4O4S

Physical State: Dry powder
Available Amount: 788 mg

Lipinsky:
logP: 2.723
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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