COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK382039
Chemical Name: 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-{[(4-butoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}benzoicacid
Smiles: CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)Nc1cccc(c1)C(=O)O

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Molecular Weight: 502.52
Empirical Formula: C28H26N2O7

Physical State: Dry powder
Available Amount: 266 mg

Lipinsky:
logP: 5.904
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 123
Number of rings: 4

     

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