COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK267670
Chemical Name: 2-{[(4-methylphenyl)amino]methyl}-4-nitro-1H-isoindole-1,3(2H)-dione
Smiles: Cc1ccc(cc1)NCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

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Molecular Weight: 311.3
Empirical Formula: C16H13N3O4

Physical State: Dry powder
Available Amount: 669 mg

Lipinsky:
logP: 2.824
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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