COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170697
Chemical Name: (2Z)-2-(1,3-benzoxazol-2-yl)-3-[(4,5-dimethyl-2-nitrophenyl)amino]prop-2-enal
Smiles: O=C/C(=C\Nc1cc(C)c(cc1[N+](=O)[O-])C)/c1nc2c(o1)cccc2

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Molecular Weight: 337.33
Empirical Formula: C18H15N3O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.078
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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