COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020794
Chemical Name: (6E)-6-({2,5-dimethyl-1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)c1sc2=NC(=O)/C(=C/c3c4cc(C)ccc4n(c3C)CCOc3ccccc3C)/C(=N)n2n1

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Molecular Weight: 547.68
Empirical Formula: C32H29N5O2S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 6.578
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 6

     

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