COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK423922
Chemical Name: 6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylicacid
Smiles: CCOC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1ccc(cc1)Cl)C

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Molecular Weight: 447.94
Empirical Formula: C22H22ClNO5S

Physical State: Dry powder
Available Amount: 1097 mg

Lipinsky:
logP: 5.435
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 3

     

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