COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK372829
Chemical Name: 3-ethyl-2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methoxy-1,3-benzoxazol-3-ium
Smiles: COc1ccc2c(c1)[n+](CC)c(o2)/C=C(/C=c/1\oc2c(n1CC)cc(cc2)OC)\CC

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Saltdata: C2H5OSO3-
Molecular Weight: 421.52
Empirical Formula: C25H29N2O4

Physical State: Liquid
Available Amount: 1 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 47
Number of rings: 4

     

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