General Information of the Compound
| Compound ID |
CP0450359
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| Compound Name |
(R)-2-((R)-1-ethyl-4-(4-ethylphenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
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| Structure |
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| Formula |
C28H36N4O
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| Molecular Weight |
444.623
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| Canonical SMILES |
CCc1ccc(CC[C@H]2N(CCc3c2c(C)nn3CC)[C@@H](C(=O)NC)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27-/m1/s1
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| InChIKey |
PPAKYKQRBNRNGC-SHQCIBLASA-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