COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL158021
Chemical Name: 1,3-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2n(C)nc(c2C(SC1)c1cc2OCOc2cc1[N+](=O)[O-])C

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Molecular Weight: 362.37
Empirical Formula: C15H14N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.644
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 139
Number of rings: 4

     

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