General Information of the Compound
| Compound ID |
CP0474851
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| Compound Name |
1-phenyl-3-[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]propan-1-one
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| Structure |
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| Formula |
C27H27NO2
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| Molecular Weight |
397.518
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| Canonical SMILES |
O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H27NO2/c29-26(22-13-5-2-6-14-22)19-18-23-15-9-10-20-28(23)27(30)25-17-8-7-16-24(25)21-11-3-1-4-12-21/h1-8,11-14,16-17,23H,9-10,15,18-20H2/t23-/m0/s1
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| InChIKey |
PHXCUOPWSBXUHY-QHCPKHFHSA-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1