General Information of the Compound
| Compound ID |
CP0501697
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| Compound Name |
(R)-2-((S)-1-ethyl-4-(4-isopropylphenethyl)-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 |
C29H38N4O
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| Molecular Weight |
458.65
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| Canonical SMILES |
CCn1nc(C)c2[C@H](CCc3ccc(cc3)C(C)C)N(CCc12)[C@@H](C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C29H38N4O/c1-6-33-26-18-19-32(28(29(34)30-5)24-10-8-7-9-11-24)25(27(26)21(4)31-33)17-14-22-12-15-23(16-13-22)20(2)3/h7-13,15-16,20,25,28H,6,14,17-19H2,1-5H3,(H,30,34)/t25-,28+/m0/s1
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| InChIKey |
IGOJZIQKSMEGBM-LBNVMWSVSA-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