COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180181
Chemical Name: (2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)[N+](=O)[O-])O)/C(=O)NCC1CCCO1

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Molecular Weight: 347.33
Empirical Formula: C16H17N3O6

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 1.038
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 137
Number of rings: 2

     

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