COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536407
Chemical Name: (2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1cc2OCOc2cc1C(=O)C)/C#N

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Molecular Weight: 419.46
Empirical Formula: C22H17N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.44
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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