COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK939872
Chemical Name: (2E)-4-({3-[(4-benzylpiperazin-1-yl)(carboxy)methyl]-1H-indol-6-yl}amino)-4-oxobut-2-enoicacid
Smiles: O=C(Nc1ccc2c(c1)[nH]cc2C(N1CCN(CC1)Cc1ccccc1)C(=O)O)/C=C/C(=O)O

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Molecular Weight: 462.51
Empirical Formula: C25H26N4O5

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 1.662
Rotatable bonds: 6
H-donors: 4
H-acceptors: 5
PSA: 125
Number of rings: 4

     

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