General Information of the Compound
| Compound ID |
CP0450686
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| Compound Name |
N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
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| Structure |
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| Formula |
C27H27N3O3S
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| Molecular Weight |
473.598
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| Canonical SMILES |
C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
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| InChI |
InChI=1S/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/m1/s1
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| InChIKey |
ZSFKTFCHCZQVDT-VGOFRKELSA-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