COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570834
Chemical Name: 2-[(E)-2-(dimethylamino)ethenyl]-7-[(dimethylammonio)methyl]-1-(4-methoxyphenyl)-3-nitro-1H-indol-6-olate
Smiles: COc1ccc(cc1)n1c2c(C[NH+](C)C)c([O-])ccc2c(c1/C=C/N(C)C)[N+](=O)[O-]

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Molecular Weight: 410.47
Empirical Formula: C22H26N4O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 4.15
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 90
Number of rings: 3

     

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