COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042106
Chemical Name: (6Z)-6-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxybenzylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OC)OCCSc3ccc(cc3)Cl)/C2=N)s1

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Molecular Weight: 571.16
Empirical Formula: C28H31ClN4O3S2

Physical State: Dry powder
Available Amount: 430 mg

Lipinsky:
logP: 7.176
Rotatable bonds: 12
H-donors: 1
H-acceptors: 3
PSA: 137
Number of rings: 4

     

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