COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585215
Chemical Name: 14-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Smiles: CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1

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Molecular Weight: 443.54
Empirical Formula: C28H29NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.58
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 6

     

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