COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161090
Chemical Name: 1-methyl-4-(4-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2n(C)ncc2C(SC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 304.33
Empirical Formula: C13H12N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.913
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 3

     

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