COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049343
Chemical Name: 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C/C=C/c1ccccc1[N+](=O)[O-]

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Molecular Weight: 559.67
Empirical Formula: C28H25N5O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.897
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 173
Number of rings: 5

     

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