COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052004
Chemical Name: (5Z)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C/NC3CC[NH+](CC3)Cc3ccccc3)/C2=O)[O-])ccc1OC

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Molecular Weight: 492.58
Empirical Formula: C27H32N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.42
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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