General Information of the Compound
| Compound ID |
CP0500770
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| Compound Name |
N-(cyclohexylmethyl)-6-methoxy-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H30N6O3
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| Molecular Weight |
498.587
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCCCC1
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| InChI |
InChI=1S/C28H30N6O3/c1-37-25-14-13-24(26(32-25)28(36)29-17-19-7-3-2-4-8-19)31-27(35)23-12-11-20(18-34-16-15-30-33-34)21-9-5-6-10-22(21)23/h5-6,9-16,19H,2-4,7-8,17-18H2,1H3,(H,29,36)(H,31,35)
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| InChIKey |
LYYMDSUUZZBFPN-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