General Information of the Compound
| Compound ID |
CP0385225
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| Compound Name |
N-[2-(cyclobutylmethylcarbamoyl)pyridin-3-yl]isoquinoline-5-carboxamide
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
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| InChIKey |
XDAVPJKKUQBJRX-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