COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006666
Chemical Name: 1-[4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Smiles: CCCC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC

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Molecular Weight: 426.56
Empirical Formula: C28H30N2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.258
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 35
Number of rings: 5

     

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