General Information of the Compound
| Compound ID |
CP0505608
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| Compound Name |
N-benzyl-1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H31N3O3
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| Molecular Weight |
469.585
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| Canonical SMILES |
O=C(NCc1ccccc1)C1(CCN(CCN2C(=O)COc3ccccc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C29H31N3O3/c33-27-22-35-26-14-8-7-13-25(26)32(27)20-19-31-17-15-29(16-18-31,24-11-5-2-6-12-24)28(34)30-21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,30,34)
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| InChIKey |
HIJDWSULTFPAHX-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