COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK771412
Chemical Name: methyl2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-N-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
Smiles: CCCCOc1ccc2c(c1)sc(n2)NC(C(F)(F)F)(C(=O)OC)NC(=O)c1ccc(cc1Cl)Cl

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Molecular Weight: 550.39
Empirical Formula: C22H20Cl2F3N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.246
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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