COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK447003
Chemical Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carbothioamide
Smiles: CCn1nc(c(c1)CN1CCN(CC1)C(=S)Nc1ccc2c(c1)OCCO2)C

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Molecular Weight: 401.53
Empirical Formula: C20H27N5O2S

Physical State: Dry powder
Available Amount: 391 mg

Lipinsky:
logP: 1.453
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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