COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444749
Chemical Name: propan-2-yl2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 436.92
Empirical Formula: C20H21ClN2O5S

Physical State: Dry powder
Available Amount: 763 mg

Lipinsky:
logP: 7.227
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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