COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680402
Chemical Name: methyl2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1Cl)Cl)Nc1nc2c(s1)cc(cc2)Br

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Molecular Weight: 557.17
Empirical Formula: C18H11BrCl2F3N3O3S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 9.508
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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