General Information of the Compound
| Compound ID |
CP0437584
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| Compound Name |
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(5-nitro-furan-2-ylmethyl)-piperidin-4-ol
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| Structure |
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| Formula |
C17H16ClF3N2O4
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| Molecular Weight |
404.772
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| Canonical SMILES |
OC1(CCN(Cc2ccc(o2)[N+]([O-])=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H16ClF3N2O4/c18-14-3-1-11(9-13(14)17(19,20)21)16(24)5-7-22(8-6-16)10-12-2-4-15(27-12)23(25)26/h1-4,9,24H,5-8,10H2
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| InChIKey |
QPXOQLOCVZOIRU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound