COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000691
Chemical Name: 3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
Smiles: CC[n+]1c(/C=C\2/C=C(C)CC(C2)(C)C)sc2c1cc(C)c(c2)C

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Saltdata: I-
Molecular Weight: 326.53
Empirical Formula: C21H28NS

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 0
PSA: 32
Number of rings: 3

     

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