COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK850493
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(Br)c(c(c1)OC)O)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 457.3
Empirical Formula: C20H13BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.712
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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