COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036871
Chemical Name: 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-(methylsulfanyl)-3-oxohexanenitrile
Smiles: CSCCC(C(=O)/C(=c\1/[nH]c2c([nH]1)cccc2)/C#N)N1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 418.48
Empirical Formula: C22H18N4O3S

Physical State: Dry powder
Available Amount: 726 mg

Lipinsky:
logP: 2.329
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 127
Number of rings: 4

     

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