General Information of the Compound
| Compound ID |
CP0338890
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| Compound Name |
1-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)-2,3-dihydro-1H-inden-1-yl)-4-isopropylpiperazine
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| Structure |
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| Formula |
C25H29ClN4O2
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| Molecular Weight |
452.986
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| Canonical SMILES |
CC(C)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C25H29ClN4O2/c1-17(2)29-11-13-30(14-12-29)23-10-6-18-5-9-21(15-22(18)23)31-16-24-27-25(32-28-24)19-3-7-20(26)8-4-19/h3-5,7-9,15,17,23H,6,10-14,16H2,1-2H3
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| InChIKey |
BEXPSWDCLXOHKK-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1