COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK453928
Chemical Name: methyl6-tert-butyl-2-{[(5-chloro-2-methoxyphenyl)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)ccc1OC

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Molecular Weight: 435.97
Empirical Formula: C22H26ClNO4S

Physical State: Dry powder
Available Amount: 2477 mg

Lipinsky:
logP: 8.351
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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