COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051385
Chemical Name: methyl4-[10-acetyl-3-(3,4-dimethoxyphenyl)-1-hydroxy-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C)cccc2)c1ccc(c(c1)OC)OC

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Molecular Weight: 526.59
Empirical Formula: C31H30N2O6

Physical State: Dry powder
Available Amount: 528 mg

Lipinsky:
logP: 5.053
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 97
Number of rings: 5

     

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