COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013313
Chemical Name: (6Z)-2-cyclohexyl-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)C2CCCCC2)cc(c1)C

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Molecular Weight: 539.7
Empirical Formula: C31H33N5O2S

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 6.496
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 6

     

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