General Information of the Compound
| Compound ID |
CP0413113
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| Compound Name |
N-cycloheptyl-2-[(4-fluorophenyl)methyl]-3-oxo-6-phenylpyridazine-4-carboxamide
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| Structure |
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| Formula |
C25H26FN3O2
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| Molecular Weight |
419.5
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| Canonical SMILES |
Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H26FN3O2/c26-20-14-12-18(13-15-20)17-29-25(31)22(16-23(28-29)19-8-4-3-5-9-19)24(30)27-21-10-6-1-2-7-11-21/h3-5,8-9,12-16,21H,1-2,6-7,10-11,17H2,(H,27,30)
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| InChIKey |
TUCDYHPRBAOSOY-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