COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161390
Chemical Name: methyl3-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-1H-indole-4-carboxylate
Smiles: CNC(=O)/C(=C/c1c[nH]c2c1c(ccc2)C(=O)OC)/C#N

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Molecular Weight: 283.29
Empirical Formula: C15H13N3O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.003
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 94
Number of rings: 2

     

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