COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL266715
Chemical Name: 1-[4-(4-bromophenyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Smiles: CCCC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)Br

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Molecular Weight: 495.85
Empirical Formula: C26H24BrClN2O

Available Amount: 0 mg

Lipinsky:
logP: 8.457
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 26
Number of rings: 5

     

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