COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK920766
Chemical Name: methyl4-{(E)-[(2-amino-3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)NCCC1=CCCCC1

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Molecular Weight: 496.57
Empirical Formula: C28H28N6O3

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 5.158
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 124
Number of rings: 5

     

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