General Information of the Compound
| Compound ID |
CP0531569
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| Compound Name |
US10689373, Example 9
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| Structure |
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| Formula |
C19H20ClN7O
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| Molecular Weight |
397.87
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| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(Cl)cn1)-n1nccn1
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| InChI |
InChI=1S/C19H20ClN7O/c1-12-5-6-16(27-23-7-8-24-27)13(9-12)19(28)26-15-4-2-3-14(15)25-18-11-21-17(20)10-22-18/h5-11,14-15H,2-4H2,1H3,(H,22,25)(H,26,28)/t14-,15-/m0/s1
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| InChIKey |
ZCFBDTIFPRLITE-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