COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006281
Chemical Name: 1-(4-bromophenyl)-4-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Smiles: C=CCNC(=S)c1c(c2ccccc2)c2c3n1nc(n3CCCC2)c1ccc(cc1)Br

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Molecular Weight: 491.45
Empirical Formula: C25H23BrN4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.165
Rotatable bonds: 3
H-donors: 1
H-acceptors: 0
PSA: 66
Number of rings: 5

     

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