COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK428948
Chemical Name: 6-({4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylicacid
Smiles: CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)C1CC(=C(CC1C(=O)O)C)C)C

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Molecular Weight: 450.6
Empirical Formula: C26H30N2O3S

Physical State: Dry powder
Available Amount: 16 mg

Lipinsky:
logP: 6.258
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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