General Information of the Compound
| Compound ID |
CP0472561
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| Compound Name |
US9828368, Example 27
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| Structure |
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| Formula |
C22H30N2O4
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| Molecular Weight |
386.492
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| Canonical SMILES |
CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O
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| InChI |
InChI=1S/C22H30N2O4/c1-6-27-18-10-8-7-9-17(18)21(25)24-13-16(12-11-14(24)2)20-23-19(15(3)28-20)22(4,5)26/h7-10,14,16,26H,6,11-13H2,1-5H3/t14-,16-/m1/s1
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| InChIKey |
SKJTYOPFRSHHKZ-GDBMZVCRSA-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