COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445173
Chemical Name: 4-{(2Z)-2-[3-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-1-benzoxepin-4(5H)-ylidene]ethyl}morpholin-4-ium
Smiles: Cc1ccc(cc1)C1=C(Cl)/C(=C\C[NH+]2CCOCC2)/C(c2c(O1)cccc2)c1ccc(cc1)F

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Saltdata: Cl-
Molecular Weight: 477
Empirical Formula: C29H28ClFNO2

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 6.698
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 22
Number of rings: 5

     

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