COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224553
Chemical Name: (6E)-6-{[1-(2-ethoxyphenyl)-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: CCOc1ccccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SCC

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Molecular Weight: 453.59
Empirical Formula: C22H23N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.576
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 133
Number of rings: 4

     

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