COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070227
Chemical Name: 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C)cccc2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 554.69
Empirical Formula: C34H38N2O5

Physical State: Dry powder
Available Amount: 413 mg

Lipinsky:
logP: 6.466
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 5

     

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