COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK361950
Chemical Name: 4-[(1E)-2-cyano-3-{[4-(ethoxycarbonyl)phenyl]amino}-3-oxoprop-1-en-1-yl]phenyl2-nitrobenzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-])/C#N

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Molecular Weight: 485.45
Empirical Formula: C26H19N3O7

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.195
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 151
Number of rings: 3

     

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