COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK451376
Chemical Name: ethyl4-(4-bromophenyl)-2-{[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C=C/c1c(F)cccc1Cl

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Molecular Weight: 508.8
Empirical Formula: C22H16BrClFNO3S

Physical State: Dry powder
Available Amount: 336 mg

Lipinsky:
logP: 8.029
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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