COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK898116
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 361.42
Empirical Formula: C20H15N3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.674
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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