COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL162920
Chemical Name: 2-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl}benzoicacid
Smiles: N#Cc1c(NC(=O)Cc2ccccc2C(=O)O)sc2c1CCCCC2

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Molecular Weight: 354.43
Empirical Formula: C19H18N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.843
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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