General Information of the Compound
| Compound ID |
CP0381235
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| Compound Name |
2-(1-ethyl-4-(4-methoxyphenethyl)-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 |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
CCn1nc(C)c2C(CCc3ccc(OC)cc3)N(CCc12)C(C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C27H34N4O2/c1-5-31-24-17-18-30(26(27(32)28-3)21-9-7-6-8-10-21)23(25(24)19(2)29-31)16-13-20-11-14-22(33-4)15-12-20/h6-12,14-15,23,26H,5,13,16-18H2,1-4H3,(H,28,32)
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| InChIKey |
DOFLREFDMJXDCA-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