COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537421
Chemical Name: (2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc2OCOc2cc1C(=O)C)/c1scc(n1)c1ccc(c(c1)OC)OC

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Molecular Weight: 449.49
Empirical Formula: C23H19N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.162
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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