General Information of the Compound
| Compound ID |
CP0450546
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| Compound Name |
6-methoxy-N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H28N6O4
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| Molecular Weight |
500.559
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
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| InChI |
InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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| InChIKey |
YVITVABZYDPMHU-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2