COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK976090
Chemical Name: 1-(4-cyclohexylphenyl)-2-[(2,4-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone
Smiles: COc1ccc(c(c1)OC)N(C1=NCCCCC1)CC(=O)c1ccc(cc1)C1CCCCC1

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Saltdata: HBr
Molecular Weight: 448.61
Empirical Formula: C28H36N2O3

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.052
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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