General Information of the Compound
| Compound ID |
CP0435056
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| Compound Name |
US10011588, Example 131
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| Structure |
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| Formula |
C20H17F5N6O2
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| Molecular Weight |
468.386
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| Canonical SMILES |
FC(F)(F)Oc1ccc(N[C@H]2CC(F)(F)C[C@@H]2NC(=O)c2ccccc2-n2nccn2)nc1
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| InChI |
InChI=1S/C20H17F5N6O2/c21-19(22)9-14(29-17-6-5-12(11-26-17)33-20(23,24)25)15(10-19)30-18(32)13-3-1-2-4-16(13)31-27-7-8-28-31/h1-8,11,14-15H,9-10H2,(H,26,29)(H,30,32)/t14-,15-/m0/s1
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| InChIKey |
KTBNUTACVJYWNB-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