COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526387
Chemical Name: 4-benzyl-1-[(2-phenoxyethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1

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Molecular Weight: 548.71
Empirical Formula: C33H32N4O2S

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 9.195
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 7

     

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