General Information of the Compound
| Compound ID |
CP0369262
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| Compound Name |
(1-(3-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)-2,3-dihydro-1H-inden-1-yl)propylamino)cyclopentyl)methanol
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| Structure |
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| Formula |
C27H32ClN3O3
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| Molecular Weight |
482.024
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| Canonical SMILES |
OCC1(CCCC1)NCCCC1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C27H32ClN3O3/c28-22-10-7-21(8-11-22)26-30-25(31-34-26)17-33-23-12-9-20-6-5-19(24(20)16-23)4-3-15-29-27(18-32)13-1-2-14-27/h7-12,16,19,29,32H,1-6,13-15,17-18H2
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| InChIKey |
YQSWBGWFQXIBPI-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