General Information of the Compound
| Compound ID |
CP0898833
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| Compound Name |
5-(4-Carbamoyl-phenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridinecarboxamide
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| Structure |
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| Formula |
C23H27N3O4
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| Molecular Weight |
409.486
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| Canonical SMILES |
NC(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1
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| InChI |
InChI=1S/C23H27N3O4/c24-21(28)16-9-7-15(8-10-16)18-11-17(12-25-23(18)30-13-14-5-6-14)22(29)26-19-3-1-2-4-20(19)27/h7-12,14,19-20,27H,1-6,13H2,(H2,24,28)(H,26,29)/t19-,20-/m1/s1
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| InChIKey |
KPTWEWDDTCIJLW-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