General Information of the Compound
| Compound ID |
CP0177507
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| Compound Name |
(1-(4-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl)cyclopentyl)methanol
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| Structure |
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| Formula |
C28H33ClN4O3
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| Molecular Weight |
509.05
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| Canonical SMILES |
OCC1(CCCC1)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C28H33ClN4O3/c29-22-7-3-21(4-8-22)27-30-26(31-36-27)18-35-23-9-5-20-6-10-25(24(20)17-23)32-13-15-33(16-14-32)28(19-34)11-1-2-12-28/h3-5,7-9,17,25,34H,1-2,6,10-16,18-19H2
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| InChIKey |
GPSVSZZDAKVKII-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