COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK714456
Chemical Name: methyl4-[(E)-{[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]imino}methyl]benzoate
Smiles: CCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(=O)OC

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Molecular Weight: 444.49
Empirical Formula: C24H24N6O3

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 3.83
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 124
Number of rings: 4

     

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