COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL009047
Chemical Name: (4Z)-4-({[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino}methylidene)-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)N1C(=O)/C(=C\NCC(c2ccco2)N(C)C)/c2c(C1=O)cccc2

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Molecular Weight: 431.49
Empirical Formula: C25H25N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.72
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 75
Number of rings: 4

     

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