General Information of the Compound
| Compound ID |
CP0411584
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| Compound Name |
N-[2-ethoxy-5-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]phenyl]benzamide
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C27H29N3O4/c1-2-34-26-13-10-23(18-25(26)28-27(31)22-6-4-3-5-7-22)21-14-16-29(17-15-21)19-20-8-11-24(12-9-20)30(32)33/h3-13,18,21H,2,14-17,19H2,1H3,(H,28,31)
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| InChIKey |
XWASUCRWVKVQKM-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