General Information of the Compound
| Compound ID |
CP0442225
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| Compound Name |
5-Methoxy-3-(4-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-butyl)-1H-indole
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
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| InChI |
InChI=1S/C26H35N3O3/c1-30-17-18-32-23-8-6-22(7-9-23)29-15-13-28(14-16-29)12-4-3-5-21-20-27-26-11-10-24(31-2)19-25(21)26/h6-11,19-20,27H,3-5,12-18H2,1-2H3
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| InChIKey |
IOGBAZGWYGPULK-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