COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK792971
Chemical Name: 3-ethyl-2-[(E)-{3-[(1E,3E,5Z)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl]-1,3-benzothiazol-3-ium
Smiles: CC[n+]1c(/C=C\2/C=C(/C=C/C=C/C=c/3\sc4c(n3CC)cccc4)CC(C2)(C)C)sc2c1cccc2

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Molecular Weight: 511.78
Empirical Formula: C32H35N2S2

Physical State: Dry powder
Available Amount: 286 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 0
PSA: 60
Number of rings: 5

     

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