COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383126
Chemical Name: 7-(2-methylbutan-2-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Smiles: CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc2OCOc2cc1[N+](=O)[O-])O)(C)C

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Molecular Weight: 443.52
Empirical Formula: C22H25N3O5S

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 5.289
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 5

     

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