COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002739
Chemical Name: 1-[4-(3,4-dichlorophenyl)-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(c(c1)Cl)Cl

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Molecular Weight: 465.42
Empirical Formula: C27H26Cl2N2O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.454
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 26
Number of rings: 5

     

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