General Information of the Compound
| Compound ID |
CP0879276
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| Compound Name |
Pitolisant hydrochloride
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| Structure |
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| Formula |
C17H27Cl2NO
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| Molecular Weight |
332.315
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| Canonical SMILES |
Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
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| InChIKey |
XLFKECRRMPOAQS-UHFFFAOYSA-N
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| CAS |
903576-44-3
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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