COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK932716
Chemical Name: 4-[3,5-dimethyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazol-4-yl]-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2[nH]nc(c2C(SC1)c1c(C)nn(c1C)C1(C)CCS(=O)(=O)C1)C

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Molecular Weight: 409.53
Empirical Formula: C17H23N5O3S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 0.09
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 146
Number of rings: 4

     

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