General Information of the Compound
| Compound ID |
CP0385226
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| Compound Name |
N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]-1,3-benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C20H20N4O3S
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| Molecular Weight |
396.472
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| Canonical SMILES |
O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc2ncsc2c1
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| InChI |
InChI=1S/C20H20N4O3S/c25-19(14-3-4-15-17(10-14)28-12-23-15)24-16-2-1-7-21-18(16)20(26)22-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,26)(H,24,25)
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| InChIKey |
NDALETICPCHNKS-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