COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK499564
Chemical Name: butan-2-yl6-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Smiles: CCC(OC(=O)C1CC=CCC1C(=O)Nc1sc2c(c1C#N)cccc2)C

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Molecular Weight: 382.48
Empirical Formula: C21H22N2O3S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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