COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL350011
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-8-methoxyquinolin-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(n1)c(OC)ccc2Cl)/c1nc2c(s1)cccc2

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Molecular Weight: 377.85
Empirical Formula: C20H12ClN3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 87
Number of rings: 4

     

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