COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224594
Chemical Name: (6E)-6-{[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)Cl)C)/C2=N)s1

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Molecular Weight: 458.01
Empirical Formula: C21H20ClN5OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.245
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 124
Number of rings: 4

     

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