COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003360
Chemical Name: (6Z)-6-{4-[2-(4-cyclohexylphenoxy)ethoxy]benzylidene}-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(cc3)OCCOc3ccc(cc3)C3CCCCC3)/C2=N)s1

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Molecular Weight: 572.77
Empirical Formula: C33H40N4O3S

Physical State: Dry powder
Available Amount: 414 mg

Lipinsky:
logP: 8.174
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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