COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856439
Chemical Name: methyl3,3,3-trifluoro-2-{[(3-methoxyphenyl)carbonyl]amino}-N-[6-(propan-2-yl)-1,3-benzothiazol-2(3H)-ylidene]alaninate
Smiles: COC(=O)C(C(F)(F)F)(/N=c\1/sc2c([nH]1)ccc(c2)C(C)C)NC(=O)c1cccc(c1)OC

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Molecular Weight: 481.5
Empirical Formula: C22H22F3N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.898
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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