COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040274
Chemical Name: 3-(4-tert-butylphenyl)-11-(2,4-dichlorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 589.6
Empirical Formula: C35H38Cl2N2O2

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 9.492
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 49
Number of rings: 5

     

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