COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK427662
Chemical Name: methyl6-tert-butyl-2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

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Molecular Weight: 450.94
Empirical Formula: C21H23ClN2O5S

Physical State: Dry powder
Available Amount: 2000 mg

Lipinsky:
logP: 8.183
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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