COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534531
Chemical Name: 1-{[(4-bromophenyl)amino]methyl}-N-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)Cl)n2c3c1CCCCn3c(n2)CNc1ccc(cc1)Br

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Molecular Weight: 621
Empirical Formula: C30H27BrClN5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.662
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 87
Number of rings: 6

     

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