COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK792994
Chemical Name: 2-[(E)-(5,5-dimethyl-3-{(E)-2-[methyl(phenyl)amino]ethenyl}cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
Smiles: CC[n+]1c(/C=C\2/C=C(/C=C/N(c3ccccc3)C)CC(C2)(C)C)sc2c1cccc2

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Saltdata: I-
Molecular Weight: 415.62
Empirical Formula: C27H31N2S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 0
H-acceptors: 0
PSA: 35
Number of rings: 4

     

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