General Information of the Compound
| Compound ID |
CP0452394
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| Compound Name |
N-[3-[(3-benzhydryl-4-oxopiperidin-1-yl)methyl]-4-methoxyphenyl]acetamide
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
COc1ccc(NC(C)=O)cc1CN1CCC(=O)C(C1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H30N2O3/c1-20(31)29-24-13-14-27(33-2)23(17-24)18-30-16-15-26(32)25(19-30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25,28H,15-16,18-19H2,1-2H3,(H,29,31)
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| InChIKey |
KSPUFTHRXQCPKQ-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