COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK671689
Chemical Name: 4-(1,3-benzothiazol-2-yl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=N/c1ccc(cc1)c1nc2c(s1)cccc2

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Molecular Weight: 403.42
Empirical Formula: C21H13N3O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 5.23
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 117
Number of rings: 5

     

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