COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK650876
Chemical Name: 3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-1-methyl-1H-indole-2-carboxylicacid
Smiles: OC(=O)C(c1c(C(=O)O)n(c2c1cccc2)C)N1CCN(CC1)C1CCS(=O)(=O)C1

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Molecular Weight: 435.5
Empirical Formula: C20H25N3O6S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: -0.218
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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