COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383007
Chemical Name: (2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(3-ethoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)prop-2-enamide
Smiles: CCOc1cc(ccc1OCCOc1cc(C)ccc1C(C)C)/C=C(/C(=O)Nc1nc2c(s1)cccc2)\C#N

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Molecular Weight: 541.67
Empirical Formula: C31H31N3O4S

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 8.06
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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