COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152216
Chemical Name: (6E)-2-cyclohexyl-6-{1-[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]ethylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C(\c1cc(n(c1C)c1ccc2c(c1)cccc2)C)/C)C1CCCCC1

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Molecular Weight: 495.65
Empirical Formula: C29H29N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.469
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 6

     

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