COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK744798
Chemical Name: 4-(4-bromophenyl)-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylicacid
Smiles: COc1cc(/C=C/C(=O)Nc2scc(c2C(=O)O)c2ccc(cc2)Br)ccc1OC

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Molecular Weight: 488.36
Empirical Formula: C22H18BrNO5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 6.64
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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