COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054331
Chemical Name: (6Z)-6-({1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CC(c1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccc(c(c3)C)C)/C2=N)s1)C

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Molecular Weight: 485.61
Empirical Formula: C27H27N5O2S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.784
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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