COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL452011
Chemical Name: 1-{1-[(4-chlorophenoxy)methyl]-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-3-yl}butan-1-one
Smiles: CCCC(=O)c1c(c2ccccc2)c2c3n1nc(n3CCCC2)COc1ccc(cc1)Cl

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Molecular Weight: 447.96
Empirical Formula: C26H26ClN3O2

Available Amount: 0 mg

Lipinsky:
logP: 6.612
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 48
Number of rings: 5

     

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