COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057224
Chemical Name: 1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)[N+](=O)[O-])c(nn2c1ccc(cc1)C)c1ccccc1

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Molecular Weight: 456.52
Empirical Formula: C25H20N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.479
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 5

     

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