General Information of the Compound
| Compound ID |
CP0531749
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| Compound Name |
4-butyl-7-hydroxy-N-(3-hydroxy-1-adamantyl)-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C22H30N4O4
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| Molecular Weight |
414.506
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| Canonical SMILES |
CCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c1=O
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| InChI |
InChI=1S/C22H30N4O4/c1-3-4-5-26-15-11-25(2)24-17(15)18(27)16(20(26)29)19(28)23-21-7-13-6-14(8-21)10-22(30,9-13)12-21/h11,13-14,27,30H,3-10,12H2,1-2H3,(H,23,28)
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| InChIKey |
CXGFXVRXQHUAPP-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