General Information of the Compound
| Compound ID |
CP0417978
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| Compound Name |
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 |
C26H26N6O3
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| Molecular Weight |
470.533
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| Canonical SMILES |
O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
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| InChI |
InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
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| InChIKey |
SBMZVMAQHHRTLR-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