COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567780
Chemical Name: (5E)-5-[({3-chloro-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]phenyl}amino)methylidene]-1-cyclohexyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C(c1ccccc1)N1CC[NH+](CC1)c1ccc(cc1Cl)N/C=C/1\C(=O)N=C(N(C1=O)C1CCCCC1)[S-]

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Molecular Weight: 552.1
Empirical Formula: C28H30ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.717
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 86
Number of rings: 5

     

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