COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998047
Chemical Name: 4-tert-butyl-N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C(C)(C)C)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 510.59
Empirical Formula: C30H30N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.29
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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