COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK394969
Chemical Name: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

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Molecular Weight: 527.97
Empirical Formula: C28H22ClN5O4

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 7.104
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 106
Number of rings: 5

     

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