COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445268
Chemical Name: propan-2-yl2-{[(2E)-3-(4-bromophenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: Brc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2

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Molecular Weight: 462.41
Empirical Formula: C22H24BrNO3S

Physical State: Dry powder
Available Amount: 814 mg

Lipinsky:
logP: 9.163
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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