COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531599
Chemical Name: 1-[(4-bromobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccco1)CCCCC3

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Molecular Weight: 587.54
Empirical Formula: C30H27BrN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.987
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 7

     

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