General Information of the Compound
| Compound ID |
CP0501776
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| Compound Name |
N-methyl-1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H35N3O3
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| Molecular Weight |
497.639
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| Canonical SMILES |
CN(CCc1ccccc1)C(=O)C1(CCN(CCN2C(=O)COc3ccccc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C31H35N3O3/c1-32(19-16-25-10-4-2-5-11-25)30(36)31(26-12-6-3-7-13-26)17-20-33(21-18-31)22-23-34-27-14-8-9-15-28(27)37-24-29(34)35/h2-15H,16-24H2,1H3
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| InChIKey |
LDGQXFYTLVIEGL-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