COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003722
Chemical Name: 11-(2-butoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCOc1ccccc1C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)OC

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Molecular Weight: 468.6
Empirical Formula: C30H32N2O3

Physical State: Dry powder
Available Amount: 564 mg

Lipinsky:
logP: 5.468
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 59
Number of rings: 5

     

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