COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755624
Chemical Name: 3,4-dimethyl-N-[(E)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]aniline
Smiles: [O-][N+](=O)c1cc(ccc1Sc1nc2c(s1)cc(cc2)[N+](=O)[O-])/C=N/c1ccc(c(c1)C)C

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Molecular Weight: 464.53
Empirical Formula: C22H16N4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.991
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 170
Number of rings: 4

     

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