COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623738
Chemical Name: methyl2-[bis(propan-2-yloxy)phosphoryl]-N-(6-chloro-1,3-benzothiazol-2(3H)-ylidene)-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)/N=c\1/sc2c([nH]1)ccc(c2)Cl

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Molecular Weight: 488.85
Empirical Formula: C17H21ClF3N2O5PS

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 8.78
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 2

     

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