COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015345
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-iumethylsulfate
Smiles: COc1ccc2c(c1)[n+](CC)c(o2)/C=C(/C=c/1\oc2c(n1CC)cc(cc2)OC)\CC.CCOS(=O)(=O)[O-]

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Molecular Weight: 546.64
Empirical Formula: C27H34N2O8S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 122
Number of rings: 4

     

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