COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK375352
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Smiles: CCC1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 380.47
Empirical Formula: C21H20N2O3S

Physical State: Dry powder
Available Amount: 693 mg

Lipinsky:
logP: 6.487
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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