COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL237137
Chemical Name: 4-(3-nitrophenyl)-2,8-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n[nH]c2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 290.3
Empirical Formula: C12H10N4O3S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 1.956
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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