COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567896
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(ccc1OC)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 407.41
Empirical Formula: C20H13N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.386
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 138
Number of rings: 4

     

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