General Information of the Compound
| Compound ID |
CP0417977
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| Compound Name |
N-(cyclobutylmethyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-[[4-(methylsulfinylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H33N3O6S
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| Molecular Weight |
539.654
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| Canonical SMILES |
CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
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| InChI |
InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)
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| InChIKey |
UBFBCNIBTXDRJO-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