COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037021
Chemical Name: {4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy}aceticacid
Smiles: N#C/C(=C\c1ccc(cc1)OCC(=O)O)/c1nc2c(s1)cccc2

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Molecular Weight: 336.37
Empirical Formula: C18H12N2O3S

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 3.943
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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