COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK878613
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-chloro-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(Cl)ccc2oc1=O

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Molecular Weight: 449.87
Empirical Formula: C22H12ClN3O4S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 4.518
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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