COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534746
Chemical Name: 1-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Smiles: Brc1ccc(cc1)c1nn2c3n1CCCCc3c(c2)c1ccc2c(c1)OCCO2

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Molecular Weight: 450.33
Empirical Formula: C23H20BrN3O2

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 6.646
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 40
Number of rings: 6

     

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