COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK106717
Chemical Name: (6E)-2-ethyl-6-{[1-(4-fluorobenzyl)-2,5-dimethyl-1H-indol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C/c3c(C)n(c4c3cc(C)cc4)Cc3ccc(cc3)F)/C2=N)s1

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Molecular Weight: 459.55
Empirical Formula: C25H22FN5OS

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 4.376
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 5

     

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