COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043830
Chemical Name: (6E)-6-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1c(C)cccc1C)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(C)C

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Molecular Weight: 541.07
Empirical Formula: C27H29ClN4O4S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.465
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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