COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL303017
Chemical Name: (6E)-6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-hexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCc1sc2=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3CC)C)/C(=N)n2n1

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Molecular Weight: 461.63
Empirical Formula: C26H31N5OS

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 6.274
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 4

     

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