COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001237
Chemical Name: prop-2-en-1-yl4-(2-chlorophenyl)-3,6-dimethyl-2-[(4-nitrophenyl)carbonyl]-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Smiles: C=CCOC(=O)C1=C(C)Nc2c(C1c1ccccc1Cl)c(C)c(s2)C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 508.98
Empirical Formula: C26H21ClN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.476
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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