General Information of the Compound
| Compound ID |
CP0460925
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| Compound Name |
2-(1-ethyl-3-methyl-4-(3-(trifluoromethyl)phenethyl)-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 |
C27H31F3N4O
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| Molecular Weight |
484.566
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| Canonical SMILES |
CCn1nc(C)c2C(CCc3cccc(c3)C(F)(F)F)N(CCc12)C(C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C27H31F3N4O/c1-4-34-23-15-16-33(25(26(35)31-3)20-10-6-5-7-11-20)22(24(23)18(2)32-34)14-13-19-9-8-12-21(17-19)27(28,29)30/h5-12,17,22,25H,4,13-16H2,1-3H3,(H,31,35)
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| InChIKey |
UXNWFCOQEYDTIR-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1