COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546783
Chemical Name: (2Z)-2-[3-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-1-benzoxepin-4(5H)-ylidene]-N,N-dimethylethanamine
Smiles: CN(C/C=C/1\C(=C(Oc2c(C1c1ccc(cc1)F)cccc2)c1ccc(cc1)C)Cl)C

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Saltdata: HCl
Molecular Weight: 433.95
Empirical Formula: C27H25ClFNO

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.254
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 12
Number of rings: 4

     

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