COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL239631
Chemical Name: 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 380.43
Empirical Formula: C19H16N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.215
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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