COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL341047
Chemical Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)c(C)c(s2)C

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Molecular Weight: 443.55
Empirical Formula: C21H21N3O4S2

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 3.954
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 133
Number of rings: 4

     

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