COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592900
Chemical Name: (1Z)-3-(4-tert-butylphenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)butan-2-one
Smiles: O=C(C(Oc1ccc(cc1)C(C)(C)C)C)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 393.48
Empirical Formula: C24H27NO4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.544
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 4

     

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