COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532296
Chemical Name: 4-(3-methoxyphenyl)-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)OC)CCCCC3

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Molecular Weight: 514.69
Empirical Formula: C30H34N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.294
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 6

     

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