COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK607423
Chemical Name: (1Z)-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-3-[4-(trifluoromethyl)phenyl]propan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)Cc1ccc(cc1)C(F)(F)F

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Molecular Weight: 403.4
Empirical Formula: C22H20F3NO3

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 4.275
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 4

     

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