COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544071
Chemical Name: 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Br)c2c3n1cc(n3CCCC2)c1ccccc1

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Molecular Weight: 570.55
Empirical Formula: C31H28BrN3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.67
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 62
Number of rings: 6

     

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