COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013181
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 414.48
Empirical Formula: C24H18N2O3S

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 6.789
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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