COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK943698
Chemical Name: 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: COc1ccc(cc1OC)C1N(C)C(=O)c2c(C1C(=O)/N=c\1/[nH]nc(s1)C)cccc2

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.028
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 4

     

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