COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL241162
Chemical Name: (6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C)C)C)c1cccnc1

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Molecular Weight: 454.56
Empirical Formula: C25H22N6OS

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.806
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 112
Number of rings: 5

     

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