General Information of the Compound
| Compound ID |
CP0429057
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| Compound Name |
N-(1-adamantyl)-6-(3-chloro-4-methylphenyl)-2-cyclopentyl-3-oxopyridazine-4-carboxamide
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| Structure |
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| Formula |
C27H32ClN3O2
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| Molecular Weight |
466.025
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| Canonical SMILES |
Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1
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| InChI |
InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)
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| InChIKey |
SSBBKOUZPIUVLQ-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