COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152924
Chemical Name: 4-[3,5-dimethyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazol-4-yl]-1,3-dimethyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2n(C)nc(c2C(SC1)c1c(C)nn(c1C)C1(C)CCS(=O)(=O)C1)C

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Molecular Weight: 423.56
Empirical Formula: C18H25N5O3S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: -0.06
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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