COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528448
Chemical Name: 4-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-5-ium-10-yl}-4-oxobutanoate
Smiles: CCC(Oc1ccccc1C1C2=C(O)CC(CC2=[NH+]c2c(N1C(=O)CCC(=O)[O-])cccc2)c1ccc(c(c1)OC)OC)C

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Molecular Weight: 598.7
Empirical Formula: C35H38N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.207
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 122
Number of rings: 5

     

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