COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527512
Chemical Name: methyl5-chloro-3-({[(3S)-3-(2-ethoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)C[C@@H]1NCCN(C1=O)CC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC

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Saltdata: HCl
Molecular Weight: 450.88
Empirical Formula: C20H23ClN4O6

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.798
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 129
Number of rings: 3

     

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