COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558036
Chemical Name: methyl6-methoxy-3-{[(2E)-2,3,4,5,5-pentachloropenta-2,4-dienoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)ccc(c2)OC

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Molecular Weight: 472.54
Empirical Formula: C16H11Cl5N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.008
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 80
Number of rings: 2

     

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