COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL266728
Chemical Name: 4-(4-bromophenyl)-1-{[(3-chloro-2-methylphenyl)amino]methyl}-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: Brc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)C)n2c3c1CCCCn3c(n2)CNc1cccc(c1C)Cl

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Molecular Weight: 619.03
Empirical Formula: C31H29BrClN5S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 8.643
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 78
Number of rings: 6

     

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