COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077869
Chemical Name: 4-(5-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: Cc1ccc2c(c1)nc(s2)c1ccc(cc1)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 417.44
Empirical Formula: C22H15N3O4S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 5.69
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 117
Number of rings: 5

     

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