COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL071468
Chemical Name: (2E)-N-benzyl-2-cyano-3-[3-nitro-4-(pyrimidin-2-ylsulfanyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1ncccn1)/C(=O)NCc1ccccc1

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Molecular Weight: 417.45
Empirical Formula: C21H15N5O3S

Physical State: Dry powder
Available Amount: 747 mg

Lipinsky:
logP: 3.458
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 149
Number of rings: 3

     

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