COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL329459
Chemical Name: 3-ethyl-5-methoxy-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
Smiles: COc1ccc2c(c1)[n+](CC)c(s2)/C=C\1/C=C(C)CC(C1)(C)C

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Saltdata: p-CH3C6H4SO3-
Molecular Weight: 328.5
Empirical Formula: C20H26NOS

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 41
Number of rings: 3

     

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