COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL073169
Chemical Name: 3-[(E)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-4-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]cyclobut-3-ene-1,2-dione
Smiles: CCn1/c(=C/C2=C(C(=O)C2=O)/C=c\2/sc3c(n2CC)cccc3)/sc2c1cccc2

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Molecular Weight: 432.57
Empirical Formula: C24H20N2O2S2

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 2.034
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 91
Number of rings: 5

     

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