General Information of the Compound
| Compound ID |
CP0420323
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| Compound Name |
2-[6-(1-adamantylcarbamoyl)-7-hydroxy-5-oxo-4-propylpyrazolo[4,3-b]pyridin-2-yl]ethyl acetate
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| Structure |
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| Formula |
C24H32N4O5
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| Molecular Weight |
456.543
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| Canonical SMILES |
CCCn1c2cn(CCOC(C)=O)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O
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| InChI |
InChI=1S/C24H32N4O5/c1-3-4-28-18-13-27(5-6-33-14(2)29)26-20(18)21(30)19(23(28)32)22(31)25-24-10-15-7-16(11-24)9-17(8-15)12-24/h13,15-17,30H,3-12H2,1-2H3,(H,25,31)
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| InChIKey |
LHQLBIIVVJMZCQ-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