General Information of the Compound
| Compound ID |
CP0390744
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| Compound Name |
N-[2-methoxy-5-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]phenyl]benzamide
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C26H27N3O4/c1-33-25-12-9-22(17-24(25)27-26(30)21-5-3-2-4-6-21)20-13-15-28(16-14-20)18-19-7-10-23(11-8-19)29(31)32/h2-12,17,20H,13-16,18H2,1H3,(H,27,30)
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| InChIKey |
YWZBKJRTJCXYQT-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