COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446880
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Smiles: N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 408.52
Empirical Formula: C23H24N2O3S

Physical State: Dry powder
Available Amount: 694 mg

Lipinsky:
logP: 7.184
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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