COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473134
Chemical Name: 3-[(1Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1cccc(c1)/C=C(\C(=O)Nc1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 442.43
Empirical Formula: C25H18N2O6

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 5.128
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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