General Information of the Compound
| Compound ID |
CP0717844
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| Compound Name |
3-(1-Naphthylmethoxy)-1-(1-naphthylmethyl)-5-nitroindazole
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| Structure |
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| Formula |
C29H21N3O3
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| Molecular Weight |
459.505
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| Canonical SMILES |
O=[N+]([O-])c1ccc2c(c1)c(OCc1cccc3ccccc13)nn2Cc1cccc2ccccc12
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| InChI |
InChI=1S/C29H21N3O3/c33-32(34)24-15-16-28-27(17-24)29(35-19-23-12-6-10-21-8-2-4-14-26(21)23)30-31(28)18-22-11-5-9-20-7-1-3-13-25(20)22/h1-17H,18-19H2
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| InChIKey |
XXEKUHPLQBJSJY-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