COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK851813
Chemical Name: (2E)-N-[(2E)-5-({2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
Smiles: COc1ccc(c(c1)NC(=O)CSc1n[nH]/c(=N\C(=O)/C=C/c2ccccc2)/s1)OC

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Molecular Weight: 456.55
Empirical Formula: C21H20N4O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.23
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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