COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL330430
Chemical Name: methyl2-(1,3-benzothiazol-2-ylamino)-N-[(4-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc1nc2c(s1)cccc2

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Molecular Weight: 443.83
Empirical Formula: C18H13ClF3N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.551
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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