COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK092000
Chemical Name: methyl2-{5-[(E)-(5-imino-7-oxo-2-pentyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Smiles: CCCCCc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccccc3C(=O)OC)/C2=N)s1

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Molecular Weight: 450.52
Empirical Formula: C23H22N4O4S

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 4.057
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 133
Number of rings: 4

     

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