COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149806
Chemical Name: 6-hexanoyl-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)c1c2NC3=C(C=Nc2ccc1C(=O)c1ccccc1)C(=O)CC(C3)(C)C

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Molecular Weight: 442.56
Empirical Formula: C28H30N2O3

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 4.846
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 75
Number of rings: 4

     

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