COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528356
Chemical Name: 4-{3-(3,4-dimethoxyphenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-5-ium-10-yl}-4-oxobutanoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=[NH+]c2c(N1C(=O)CCC(=O)[O-])cccc2)c1ccc(c(c1)OC)OC

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Molecular Weight: 584.63
Empirical Formula: C33H32N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.859
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 139
Number of rings: 5

     

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