General Information of the Compound
| Compound ID |
CP0510997
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| Compound Name |
6-(4-chloro-3-methylphenyl)-N-cycloheptyl-2-[(4-fluorophenyl)methyl]-3-oxopyridazine-4-carboxamide
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| Structure |
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| Formula |
C26H27ClFN3O2
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| Molecular Weight |
467.972
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| Canonical SMILES |
Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C26H27ClFN3O2/c1-17-14-19(10-13-23(17)27)24-15-22(25(32)29-21-6-4-2-3-5-7-21)26(33)31(30-24)16-18-8-11-20(28)12-9-18/h8-15,21H,2-7,16H2,1H3,(H,29,32)
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| InChIKey |
XAENFEBRCNIZRG-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