COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK382033
Chemical Name: methyl3-{[(2E)-2-{[(4-butoxyphenyl)carbonyl]amino}-3-(4-nitrophenyl)prop-2-enoyl]amino}benzoate
Smiles: CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1cccc(c1)C(=O)OC

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Molecular Weight: 517.54
Empirical Formula: C28H27N3O7

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 5.862
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 139
Number of rings: 3

     

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