COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473102
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Cl)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 406.83
Empirical Formula: C21H15ClN4O3

Physical State: Dry powder
Available Amount: 267 mg

Lipinsky:
logP: 3.536
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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