COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK671340
Chemical Name: (2E)-3-(3-nitrophenyl)-1-[4-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)phenyl]prop-2-en-1-one
Smiles: S=C1NC(C)(C)C=C(N1c1ccc(cc1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 407.49
Empirical Formula: C22H21N3O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.736
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 3

     

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