General Information of the Compound
| Compound ID |
CP0429044
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| Compound Name |
N-(1-adamantyl)-6-(4-chloro-3-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-oxopyridazine-4-carboxamide
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| Structure |
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| Formula |
C29H29ClFN3O2
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| Molecular Weight |
506.021
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| Canonical SMILES |
Cc1cc(ccc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(Cc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C29H29ClFN3O2/c1-17-8-22(4-7-25(17)30)26-12-24(28(36)34(33-26)16-18-2-5-23(31)6-3-18)27(35)32-29-13-19-9-20(14-29)11-21(10-19)15-29/h2-8,12,19-21H,9-11,13-16H2,1H3,(H,32,35)
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| InChIKey |
NAYXNYHSSNTNLU-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