COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114434
Chemical Name: (2E)-2-cyano-3-{4-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}-N-(2-methoxyphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1nc(C)cc(n1)O)/C(=O)Nc1ccccc1OC

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Molecular Weight: 463.47
Empirical Formula: C22H17N5O5S

Available Amount: 0 mg

Lipinsky:
logP: 3.366
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 179
Number of rings: 3

     

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