General Information of the Compound
| Compound ID |
CP0450818
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| Compound Name |
US10011588, Example 51
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| Structure |
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| Formula |
C21H25F3N6O
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| Molecular Weight |
434.466
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| Canonical SMILES |
FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2N2CCCCC2)cn1
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| InChI |
InChI=1S/C21H25F3N6O/c22-21(23,24)17-12-27-18(13-26-17)28-14-6-4-7-15(14)29-20(31)19-16(8-5-9-25-19)30-10-2-1-3-11-30/h5,8-9,12-15H,1-4,6-7,10-11H2,(H,27,28)(H,29,31)/t14-,15-/m0/s1
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| InChIKey |
DUENZHAQPOELDS-GJZGRUSLSA-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