COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506534
Chemical Name: (2E)-2-cyano-N-(2,5-dimethylphenyl)-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)Nc1cc(C)ccc1C

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Molecular Weight: 431.47
Empirical Formula: C22H17N5O3S

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 4.665
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 149
Number of rings: 3

     

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