COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK657012
Chemical Name: (2E)-4-({3-[carboxy(4-formylpiperazin-1-yl)methyl]-1H-indol-5-yl}amino)-4-oxobut-2-enoicacid
Smiles: O=CN1CCN(CC1)C(c1c[nH]c2c1cc(cc2)NC(=O)/C=C/C(=O)O)C(=O)O

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Molecular Weight: 400.39
Empirical Formula: C19H20N4O6

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -0.121
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 143
Number of rings: 3

     

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