COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536192
Chemical Name: {5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}aceticacid
Smiles: CC(C(=O)Nc1ccc2c(c1)c(c[nH]2)C(C(=O)O)N1CCN(CC1)C/C=C/c1ccccc1)C

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Molecular Weight: 460.58
Empirical Formula: C27H32N4O3

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.746
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 88
Number of rings: 4

     

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