General Information of the Compound
| Compound ID |
CP0450520
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| Compound Name |
3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H23N3O5
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| Molecular Weight |
397.431
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| Canonical SMILES |
O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C21H23N3O5/c25-20(15-3-1-5-17-19(15)29-12-11-28-17)24-16-4-2-8-22-18(16)21(26)23-13-14-6-9-27-10-7-14/h1-5,8,14H,6-7,9-13H2,(H,23,26)(H,24,25)
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| InChIKey |
NOPAIBYDUUIVJE-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2