COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161412
Chemical Name: 2-{[4-(3-cyanopyridin-2-yl)piperazin-1-yl]methyl}-4-[(3-methoxyphenyl)amino]-4-oxobutanoicacid
Smiles: COc1cccc(c1)NC(=O)CC(C(=O)O)CN1CCN(CC1)c1ncccc1C#N

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Molecular Weight: 423.47
Empirical Formula: C22H25N5O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.159
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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