COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527096
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-butoxyphenyl)amino]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 419.5
Empirical Formula: C23H21N3O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.757
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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