COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051341
Chemical Name: (2E)-3-(4-chlorophenyl)-N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)/C=C/c2ccc(cc2)Cl)/s1

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Molecular Weight: 415.9
Empirical Formula: C20H18ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.114
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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