COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526683
Chemical Name: 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Cl

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Molecular Weight: 581.14
Empirical Formula: C33H29ClN4O2S

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 9.877
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 7

     

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