COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK761368
Chemical Name: ethyl1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ccc(cc1C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)[N+](=O)[O-]

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Molecular Weight: 529.61
Empirical Formula: C26H31N3O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.402
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 4

     

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