General Information of the Compound
| Compound ID |
CP0436994
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| Compound Name |
N-(1-adamantyl)-7-chloro-8-methyl-4-oxo-1-pentylquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H33ClN2O2
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| Molecular Weight |
441.015
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)c(C)c12
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| InChI |
InChI=1S/C26H33ClN2O2/c1-3-4-5-8-29-15-21(24(30)20-6-7-22(27)16(2)23(20)29)25(31)28-26-12-17-9-18(13-26)11-19(10-17)14-26/h6-7,15,17-19H,3-5,8-14H2,1-2H3,(H,28,31)
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| InChIKey |
RCKKPNPBNOFPPC-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