COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK651681
Chemical Name: 4-[(3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-1H-indol-5-yl)amino]-4-oxobutanoicacid
Smiles: O=C(Nc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)C1CCS(=O)(=O)C1)C(=O)O)CCC(=O)O

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Molecular Weight: 492.55
Empirical Formula: C22H28N4O7S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: -1.665
Rotatable bonds: 7
H-donors: 4
H-acceptors: 7
PSA: 168
Number of rings: 4

     

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