General Information of the Compound
| Compound ID |
CP0490348
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| Compound Name |
N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]quinoxaline-5-carboxamide
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| Structure |
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| Formula |
C21H21N5O3
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| Molecular Weight |
391.431
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| Canonical SMILES |
O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2nccnc12
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| InChI |
InChI=1S/C21H21N5O3/c27-20(15-3-1-4-16-18(15)24-10-9-22-16)26-17-5-2-8-23-19(17)21(28)25-13-14-6-11-29-12-7-14/h1-5,8-10,14H,6-7,11-13H2,(H,25,28)(H,26,27)
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| InChIKey |
RNUAGWKZGMVYTO-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