COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569573
Chemical Name: (5E)-4,6-dioxo-5-({[4-(piperidinium-1-ylmethyl)phenyl]amino}methylidene)-1-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C\Nc2ccc(cc2)C[NH+]2CCCCC2)/C1=O)[S-]

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Molecular Weight: 384.5
Empirical Formula: C20H24N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.252
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 3

     

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