COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265881
Chemical Name: 4-(4-bromophenyl)-N-(2-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: COc1ccccc1NC(=S)c1c(c2ccc(cc2)Br)c2c3n1nc(n3CCCC2)COc1ccccc1

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Molecular Weight: 587.54
Empirical Formula: C30H27BrN4O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.03
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 6

     

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