General Information of the Compound
| Compound ID |
CP0396891
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| Compound Name |
N-(1-adamantyl)-4-oxo-8-pentoxy-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
CCCCCOc1cccc2c(O)c(cnc12)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C25H32N2O3/c1-2-3-4-8-30-21-7-5-6-19-22(21)26-15-20(23(19)28)24(29)27-25-12-16-9-17(13-25)11-18(10-16)14-25/h5-7,15-18H,2-4,8-14H2,1H3,(H,26,28)(H,27,29)
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| InChIKey |
WISXXMDPHANXTP-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