COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK655990
Chemical Name: (2E)-4-({3-[(4-acetylpiperazin-1-yl)(carboxy)methyl]-1H-indol-5-yl}amino)-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)C(=O)C)C(=O)O

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Molecular Weight: 414.42
Empirical Formula: C20H22N4O6

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 0.366
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 143
Number of rings: 3

     

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