COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599981
Chemical Name: (4E)-4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 443.46
Empirical Formula: C25H21N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.325
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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