COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL229230
Chemical Name: 2-[(2,5-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(thiophen-2-yl)ethanone
Smiles: COc1ccc(c(c1)N(C1=NCCCCC1)CC(=O)c1cccs1)OC

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Saltdata: HBr
Molecular Weight: 372.49
Empirical Formula: C20H24N2O3S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 2.268
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 79
Number of rings: 3

     

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