General Information of the Compound
| Compound ID |
CP0717840
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| Compound Name |
1-(2-Diisopropylaminoethyl)-3-(4-methoxybenzyloxy)-5-nitroindazole
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| Structure |
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| Formula |
C23H30N4O4
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| Molecular Weight |
426.517
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| Canonical SMILES |
COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccc([N+](=O)[O-])cc23)cc1
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| InChI |
InChI=1S/C23H30N4O4/c1-16(2)25(17(3)4)12-13-26-22-11-8-19(27(28)29)14-21(22)23(24-26)31-15-18-6-9-20(30-5)10-7-18/h6-11,14,16-17H,12-13,15H2,1-5H3
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| InChIKey |
CGOZSABHBLOFQK-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