COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809680
Chemical Name: 2-{[(2,2,2-trichloro-1-{[(2-nitrophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCCC2

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Molecular Weight: 550.87
Empirical Formula: C19H18Cl3N5O4S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.652
Rotatable bonds: 4
H-donors: 5
H-acceptors: 4
PSA: 202
Number of rings: 3

     

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