COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526089
Chemical Name: 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

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Molecular Weight: 625.59
Empirical Formula: C33H29BrN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.957
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 7

     

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