COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473199
Chemical Name: 3-{(1E)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenylcyclohexanecarboxylate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)C1CCCCC1)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 432.48
Empirical Formula: C25H24N2O5

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 4.356
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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