COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK314316
Chemical Name: 3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-[(3-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1cnn(c1)CCn1c(SCc2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2

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Molecular Weight: 441.9
Empirical Formula: C20H16ClN5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.219
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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