General Information of the Compound
| Compound ID |
CP0381664
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| Compound Name |
3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimethyl-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
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| Structure |
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| Formula |
C25H23Cl2N3O
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| Molecular Weight |
452.385
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| Canonical SMILES |
CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3
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| InChIKey |
XSXHDMUABOGLFX-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: PT03377, Gamma-aminobutyric acid receptor subunit alpha-1
Protein ID: PT03372, Gamma-aminobutyric acid receptor subunit alpha-2