General Information of the Compound
| Compound ID |
CP0508963
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| Compound Name |
US10011588, Example 28
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| Structure |
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| Formula |
C16H15BrF3N5O
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| Molecular Weight |
430.228
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| Canonical SMILES |
FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2Br)cn1
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| InChI |
InChI=1S/C16H15BrF3N5O/c17-9-3-2-6-21-14(9)15(26)25-11-5-1-4-10(11)24-13-8-22-12(7-23-13)16(18,19)20/h2-3,6-8,10-11H,1,4-5H2,(H,23,24)(H,25,26)/t10-,11-/m0/s1
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| InChIKey |
HHOJQPPWOPIDQE-QWRGUYRKSA-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