COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677989
Chemical Name: 3-(4-tert-butylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)/C=C/c1ccccc1)cccc2

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Molecular Weight: 642.79
Empirical Formula: C41H42N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.568
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 6

     

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