COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036775
Chemical Name: 3,3-dimethyl-10-(2-methylpropanoyl)-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(Nc3c(N1C(=O)C(C)C)cccc3)CC(CC2=O)(C)C

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Molecular Weight: 478.59
Empirical Formula: C28H34N2O5

Physical State: Dry powder
Available Amount: 641 mg

Lipinsky:
logP: 4.161
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 4

     

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