COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020240
Chemical Name: (6E)-2-ethyl-6-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1cc(OCCn2cc(c3c2cccc3)/C=C\2/C(=O)N=c3n(C2=N)nc(s3)CC)cc(c1)C

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Molecular Weight: 485.61
Empirical Formula: C27H27N5O2S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 4.968
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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