COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531077
Chemical Name: 1-[(2,4-dimethylbenzyl)sulfanyl]-4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccc(cc1C)C

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Molecular Weight: 562.74
Empirical Formula: C34H34N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.865
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 7

     

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