COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529288
Chemical Name: (2E)-3-[(4-butoxyphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cc2ccccc2oc1=O)\C#N

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Molecular Weight: 443.53
Empirical Formula: C25H21N3O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.015
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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