COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182715
Chemical Name: (2E)-2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)NCC1CCCO1

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Molecular Weight: 468.42
Empirical Formula: C22H20N4O8

Physical State: Dry powder
Available Amount: 417 mg

Lipinsky:
logP: 0.93
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 172
Number of rings: 3

     

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