COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039461
Chemical Name: 8-bromo-7-{2-[1-hydroxy-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)Cn1c(Br)nc3c1c(=O)n(C)c(=O)n3C)cccc2)(C)C

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Molecular Weight: 647.53
Empirical Formula: C31H31BrN6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.119
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 6

     

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