COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000197
Chemical Name: 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccc(cc1)Cl)c1ccc(cc1)Br

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Molecular Weight: 590.97
Empirical Formula: C30H25BrClN3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.995
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 62
Number of rings: 6

     

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