COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533504
Chemical Name: 3-tert-butyl-7-{[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Smiles: O=C(c1ccc(cc1)C1CCCCC1)CSc1sc2n(n1)c(=O)c(nn2)C(C)(C)C

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Molecular Weight: 442.61
Empirical Formula: C22H26N4O2S2

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 4.136
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 125
Number of rings: 4

     

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