COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393591
Chemical Name: (2E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-cyano-N-cyclohexylprop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc2c(c1)OCO2)/C(=O)NC1CCCCC1

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Molecular Weight: 434.49
Empirical Formula: C25H26N2O5

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 4.505
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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