COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548943
Chemical Name: 12-(3-methylbenzyl)-9-[(3-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: Cc1cccc(c1)CSc1nnc2n1c(=O)c1c(n2Cc2cccc(c2)C)c2ccccc2CC21CCCC2

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Molecular Weight: 532.71
Empirical Formula: C33H32N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.444
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 76
Number of rings: 7

     

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