COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK656701
Chemical Name: 2-(3,4-dimethoxyphenyl)-N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]quinoline-4-carboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2cc(nc3c2cccc3)c2ccc(c(c2)OC)OC)/s1

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Molecular Weight: 420.49
Empirical Formula: C22H20N4O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.027
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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