COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838670
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 416.29
Empirical Formula: C19H11Cl2N3O2S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 5.569
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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