COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809097
Chemical Name: ethyl2-[(2,2,2-trichloro-1-{[(3-nitrophenyl)carbonyl]amino}ethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 520.82
Empirical Formula: C20H20Cl3N3O5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 8.001
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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