General Information of the Compound
| Compound ID |
CP0523876
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| Compound Name |
US10011588, Example 68
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| Structure |
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| Formula |
C24H28F3N3O3
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| Molecular Weight |
463.5
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| Canonical SMILES |
COc1cccc(OC)c1C(=O)N(C1CCC1)[C@H]1CCC[C@@H]1Nc1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N3O3/c1-32-19-10-5-11-20(33-2)22(19)23(31)30(16-6-3-7-16)18-9-4-8-17(18)29-21-13-12-15(14-28-21)24(25,26)27/h5,10-14,16-18H,3-4,6-9H2,1-2H3,(H,28,29)/t17-,18-/m0/s1
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| InChIKey |
OAAWCCLGPWZUIA-ROUUACIJSA-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