COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK878614
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

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Molecular Weight: 460.43
Empirical Formula: C22H12N4O6S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.484
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 167
Number of rings: 5

     

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