COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551200
Chemical Name: 1-(4-bromophenyl)-2-{[14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl]oxy}ethanone
Smiles: CCOc1cc(ccc1OCC)c1c2cc(OCC(=O)c3ccc(cc3)Br)c3c(c2n2c1c1cc(OCC)c(cc1CC2)OCC)cccc3

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Molecular Weight: 734.69
Empirical Formula: C42H40BrNO6

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 10.777
Rotatable bonds: 12
H-donors: 0
H-acceptors: 6
PSA: 68
Number of rings: 7

     

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