COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224773
Chemical Name: (6E)-6-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-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)c3cc(C)cc(c3)C)C)/C2=N)s1

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Molecular Weight: 475.66
Empirical Formula: C27H33N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.734
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 4

     

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