COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684139
Chemical Name: ethyl2-({[4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C2c2ccc4c(c2)OCO4)C(=O)CC(C3)(C)C)sc2c1CCCC2

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Molecular Weight: 562.69
Empirical Formula: C31H34N2O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.722
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 131
Number of rings: 6

     

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