COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535608
Chemical Name: (2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc2OCOc2cc1C(=O)C)/c1scc(n1)c1ccc(cc1)Br

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Molecular Weight: 468.33
Empirical Formula: C21H14BrN3O3S

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 5.579
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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