COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534671
Chemical Name: N-(4-bromophenyl)-1-{[(4-bromophenyl)amino]methyl}-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)Br)nc3CNc1ccc(cc1)Br

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Molecular Weight: 665.45
Empirical Formula: C30H27Br2N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.839
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 87
Number of rings: 6

     

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