COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587553
Chemical Name: (1Z)-3-(2,4-dichlorophenoxy)-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butan-2-one
Smiles: O=C(C(Oc1ccc(cc1Cl)Cl)C)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 434.32
Empirical Formula: C22H21Cl2NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.206
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 4

     

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