General Information of the Compound
| Compound ID |
CP0916420
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| Compound Name |
VAPITADINE DIHYDROCHLORIDE
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| Structure |
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| Formula |
C17H22Cl2N4O
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| Molecular Weight |
369.296
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| Canonical SMILES |
Cl.Cl.NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1
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| InChI |
InChI=1S/C17H20N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,19H,5-10H2,(H2,18,22);2*1H
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| InChIKey |
BOYLPLUVCXUHDJ-UHFFFAOYSA-N
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| CAS |
279253-83-7
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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