COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049906
Chemical Name: 1-(4-bromophenyl)-4-[4-(difluoromethoxy)phenyl]-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)OC(F)F)c2c3n1nc(n3CCCC2)c1ccc(cc1)Br

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Molecular Weight: 637.55
Empirical Formula: C31H27BrF2N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.217
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 6

     

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