COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL452006
Chemical Name: 1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-3-yl]butan-1-one
Smiles: CCCC(=O)c1c(c2ccc(cc2)Cl)c2c3n1nc(n3CCCC2)c1ccccc1

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Molecular Weight: 417.94
Empirical Formula: C25H24ClN3O

Available Amount: 0 mg

Lipinsky:
logP: 7.069
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 39
Number of rings: 5

     

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