COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546553
Chemical Name: 3''-amino-8'',8a''-dihydrotrispiro[1,3-dioxolane-2,1'-cyclohexane-4',1''-naphthalene-7'',2'''-[1,3]dioxolane]-2'',2'',4''(6''H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C2(C3C1=CCC1(C3)OCCO1)CCC1(CC2)OCCO1)(C#N)C#N

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Molecular Weight: 408.46
Empirical Formula: C22H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.148
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 134
Number of rings: 5

     

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