COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473135
Chemical Name: 3-[(1E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl3-methylbenzoate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)c1cccc(c1)C)/C(=O)Nc1ccc2c(c1)OCO2

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Molecular Weight: 426.43
Empirical Formula: C25H18N2O5

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 5.422
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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