COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK740185
Chemical Name: (2E,6E)-2,6-bis{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-4-methylcyclohexanone
Smiles: CC1C/C(=C\c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)/C(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)/C1

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Molecular Weight: 579.39
Empirical Formula: C29H20Cl2N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.111
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 134
Number of rings: 5

     

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