COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596588
Chemical Name: (4E)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 420.47
Empirical Formula: C23H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.189
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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