General Information of the Compound
| Compound ID |
CP0530463
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| Compound Name |
US9242970, 406
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| Structure |
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| Formula |
C24H19F2NO3
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| Molecular Weight |
407.416
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| Canonical SMILES |
COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
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| InChI |
InChI=1S/C24H19F2NO3/c1-29-22-8-4-6-17(25)23(22)19-12-18(26)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19H,12-13H2,1H3/t18-,19-/m0/s1
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| InChIKey |
YLZAYQGWWQGQAW-OALUTQOASA-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