COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK354683
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{4-[(2-cyanoethyl)(methyl)amino]phenyl}prop-2-enenitrile
Smiles: N#CCCN(c1ccc(cc1)/C=C(/c1nc2c(s1)cccc2)\C#N)C

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Molecular Weight: 344.44
Empirical Formula: C20H16N4S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.633
Rotatable bonds: 3
H-donors: 0
H-acceptors: 0
PSA: 91
Number of rings: 3

     

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