COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK971258
Chemical Name: [(4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-2-nitrophenyl)sulfanyl]aceticacid
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])SCC(=O)O)sc2c1CCCC2

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Molecular Weight: 464.52
Empirical Formula: C20H20N2O7S2

Available Amount: 0 mg

Lipinsky:
logP: 6.448
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 192
Number of rings: 3

     

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