COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838182
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1)CC(C)C

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Molecular Weight: 403.5
Empirical Formula: C23H21N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.428
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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