COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551540
Chemical Name: 1-{(2Z)-2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}piperidine
Smiles: Cc1ccc(cc1)C1=C(Cl)/C(=C\CN2CCCCC2)/C(c2c(O1)cccc2)c1ccccc1

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Saltdata: HCl
Molecular Weight: 456.03
Empirical Formula: C30H30ClNO

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 8.225
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 12
Number of rings: 5

     

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