COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803861
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)O)O)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 364.38
Empirical Formula: C19H12N2O4S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 4.326
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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