COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586346
Chemical Name: (3Z)-1-(4-chloro-3-methylphenoxy)-3-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)propan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)COc1ccc(c(c1)C)Cl

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Molecular Weight: 399.87
Empirical Formula: C22H22ClNO4

Physical State: Dry powder
Available Amount: 243 mg

Lipinsky:
logP: 4.761
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 4

     

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