COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808437
Chemical Name: 3-nitro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)/N=N/c1ccccc1

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Molecular Weight: 551.84
Empirical Formula: C22H17Cl3N6O3S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.717
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 155
Number of rings: 3

     

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