COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532909
Chemical Name: 2-{[(N,N'-diphenylcarbamimidoyl)sulfanyl]methyl}-1-(4-methoxyphenyl)-3-nitro-1H-indol-6-ylacetate
Smiles: COc1ccc(cc1)n1c(CS/C(=N\c2ccccc2)/Nc2ccccc2)c(c2c1cc(cc2)OC(=O)C)[N+](=O)[O-]

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Molecular Weight: 566.64
Empirical Formula: C31H26N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.693
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 135
Number of rings: 5

     

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