COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224950
Chemical Name: (6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc4c(c3)cccc4)C)/C2=N)s1

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Molecular Weight: 497.66
Empirical Formula: C29H31N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.045
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 5

     

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