COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670904
Chemical Name: 3-{[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: [O-][N+](=O)c1cc(/C=N/n2c(C)nc3c(c2=O)c2CCCCc2s3)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 429.41
Empirical Formula: C18H15N5O6S

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 4.511
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 185
Number of rings: 4

     

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