COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK818059
Chemical Name: prop-2-en-1-yl2-{2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)C(=C(C1=O)O)C(=O)/C=C/c1ccccc1

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Saltdata: 1/5CH3COOH
Molecular Weight: 546.6
Empirical Formula: C29H26N2O7S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.346
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 143
Number of rings: 4

     

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