General Information of the Compound
| Compound ID |
CP0512555
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| Compound Name |
4-fluoro-N-methyl-N-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H27FN2O2
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| Molecular Weight |
430.523
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| Canonical SMILES |
CN(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H27FN2O2/c1-29(26(31)21-14-16-22(28)17-15-21)19-23-11-7-8-18-30(23)27(32)25-13-6-5-12-24(25)20-9-3-2-4-10-20/h2-6,9-10,12-17,23H,7-8,11,18-19H2,1H3/t23-/m0/s1
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| InChIKey |
NGTJQUZOKBPHCP-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