General Information of the Compound
| Compound ID |
CP0884637
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| Compound Name |
4-[2-Cyclopropylmethoxy-5-((1R,2R)-2-hydroxy-cyclohexylcarbamoyl)-pyridin-3-yl]-benzoic Acid
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| Structure |
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| Formula |
C23H26N2O5
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| Molecular Weight |
410.47
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| Canonical SMILES |
O=C(O)c1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1
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| InChI |
InChI=1S/C23H26N2O5/c26-20-4-2-1-3-19(20)25-21(27)17-11-18(15-7-9-16(10-8-15)23(28)29)22(24-12-17)30-13-14-5-6-14/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)(H,28,29)/t19-,20-/m1/s1
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| InChIKey |
NNVRAUSNCAGRHJ-WOJBJXKFSA-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