COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK837730
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/c1scc(n1)c1cccc(c1)Br

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Molecular Weight: 411.28
Empirical Formula: C19H11BrN2O2S

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 6.252
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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